SCHEMBL8068676

SCHEMBL8068676

CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 1.00
▸ SLC10A1 Q14973 1/20 0.42
▸ GPBAR1 Q8TDU6 12/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL160601 1.00 PTPN1 (1.00) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL30010403 0.86 PTPN1 (0.76) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL4646248 0.86 PTPN1 (0.76) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL29511057 0.85 PTPN1 (0.74) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL30839889 0.85 PTPN1 (0.74) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL17867295 0.85 PTPN1 (0.74) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL2574594 0.83 PTPN1 (0.71) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL29501291 0.82 PTPN1 (0.68) PTPN1NR1H4ALDH1A1CYP3A4CYP2C9
SCHEMBL18730236 0.82 PTPN1 (0.69) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL4646244 0.82 PTPN1 (0.69) PTPN1SLC10A1GPBAR1PRKCDNR1H4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546581-A Solid forms of heterocyclic amide derivatives 先正达农作物保护股份公司 2025-02-28 — — CN disclosed
CN-119168420-A Method for describing oil and gas migration path of mixed source rock oil and gas reservoir and predicting favorable zone 中海油能源发展股份有限公司 2024-12-20 — — CN disclosed
CN-115356768-B Method for predicting sea-phase high-quality hydrocarbon source rock development and distribution 西南石油大学 2024-06-11 — — CN disclosed
CN-118076228-A Methods for controlling diamide-resistant pests and compounds thereof 先正达农作物保护股份公司 2024-05-24 — — CN disclosed
CN-118043321-A Imidazo [1,2-a ] pyridine derivatives 先正达农作物保护股份公司 2024-05-14 — — CN disclosed
CN-115356768-A Method for predicting development and distribution of marine high-quality hydrocarbon source rock 西南石油大学 2022-11-18 — — CN disclosed
EP-1016704-A2 Improvements in hydropyrolysis University of Strathclyde (GB) 2000-07-05 — — EP disclosed
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