SCHEMBL7149599

SCHEMBL7149599

C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.72
▸ EPHA2 P29317 3/20 0.72
▸ HSD17B10 Q99714 3/20 0.72
▸ TDP1 Q9NUW8 3/20 0.72
▸ AKR1B10 O60218 2/20 0.72
▸ AKR1B1 P15121 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ EFNA1 P20827 1/20 0.72
▸ PSEN1 P49768 1/20 0.72
▸ PSEN2 P49810 1/20 0.72
▸ APH1B Q8WW43 1/20 0.72
▸ NCSTN Q92542 1/20 0.72
▸ APH1A Q96BI3 1/20 0.72
▸ PSENEN Q9NZ42 1/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ CASP7 P55210 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ BLM P54132 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15785703 1.00 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL13139175 1.00 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL22404559 1.00 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL18576355 1.00 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL27625002 1.00 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7703606 0.89 GPBAR1 (0.67) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL18575987 0.88 GPBAR1 (0.69) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7701966 0.88 GPBAR1 (0.69) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL20748953 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL19313992 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122081438-A Bencholecachol alcohol Process for the preparation of ketones — 2026-05-26 — — CN claimed
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 — — CN claimed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 — — CN claimed
CN-122081438-A Bencholecachol alcohol Process for the preparation of ketones — 2026-05-26 — — CN disclosed
CN-119306810-A Ferredoxin mutant and application thereof in synthesis of murine deoxycholic acid 江南大学 2025-01-14 — — CN disclosed
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 — — CN disclosed
CN-117801045-A Method for separating and purifying three bile acids in pig bile 常德云港生物科技股份有限公司 2024-04-02 — — CN disclosed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 — — CN disclosed
CN-116421742-A Oral sustained-release nanosphere and preparation method thereof 辉粒药业(苏州)有限公司 2023-07-14 — — CN disclosed
CN-115389648-A Method for detecting multiple steroid hormones in biological body fluid 上海体育学院 2022-11-25 — — CN disclosed
CN-114796236-A Composition for treating dementia 史蒂文·霍夫曼 2022-07-29 — — CN disclosed
EP-0984980-B1 20-ARALKYL-5ALPHA-PREGNANE DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 — — EP disclosed
EP-1137660-B1 22S-HYDROXYCHOLESTA-8,14-DIENE DERIVATIVES WITH MEIOSIS REGULATING ACTIVITY AKZO NOBEL NV (NL) 2002-10-02 — — EP disclosed
EP-1163258-A1 22R-HYDROXYCHOLESTA-8,14-DIENE DERIVATIVES FOR THE INHIBITION OF MEIOSIS Akzo Nobel N.V. (NL) 2001-12-19 — — EP disclosed
EP-1137660-A1 22S-HYDROXYCHOLESTA-8,14-DIENE DERIVATIVES WITH MEIOSIS REGULATING ACTIVITY Akzo Nobel N.V. (NL) 2001-10-04 — — EP disclosed
US-6177420-B1 FERTILITY CONTROL AGENTS; SIDE EFFECT REDUCTION AKZO NOBEL N.V. (NL) 2001-01-23 — — US disclosed
WO-2000053618-A1 22R-HYDROXYCHOLESTA-8,14-DIENE DERIVATIVES FOR THE INHIBITION OF MEIOSIS AKZO NOBEL N.V. (NL) 2000-09-14 — — WO disclosed
WO-2000035938-A1 22S-HYDROXYCHOLESTA-8, 14-DIENE DERIVATIVES WITH MEIOSIS REGULATING ACTIVITY AKZO NOBEL N.V. (NL) 2000-06-22 — — WO disclosed
EP-0984980-A1 20-ARALKYL-5$g(a)-PREGNANE DERIVATIVES Akzo Nobel N.V. (NL) 2000-03-15 — — EP disclosed
WO-1998052965-A1 20-ARALKYL-5α-PREGNANE DERIVATIVES AKZO NOBEL N.V. (NL) 1998-11-26 — — WO disclosed
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