SCHEMBL7704934

SCHEMBL7704934

CC(CO)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.74
LMNA P02545 3/20 0.74
CASP7 P55210 3/20 0.71
HIF1A Q16665 3/20 0.71
EPHA2 P29317 3/20 0.71
TP53 P04637 2/20 0.71
MAPK1 P28482 2/20 0.71
HSD17B10 Q99714 2/20 0.71
BLM P54132 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
VDR P11473 2/20 0.71
USP2 O75604 2/20 0.71
CYP3A4 P08684 2/20 0.71
MDM4 O15151 1/20 0.71
MAPT P10636 1/20 0.71
HSPD1 P10809 1/20 0.71
TSHR P16473 1/20 0.71
PTPN2 P17706 1/20 0.71
PTPN1 P18031 1/20 0.71
BRCA1 P38398 1/20 0.71

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
SCHEMBL26670381 1.00 GPBAR1 (0.74) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL21946830 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL13354470 0.90 GPBAR1 (0.74) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL12192016 0.90 GPBAR1 (0.74) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL19253279 0.90 GPBAR1 (0.74) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL20065870 0.89 GPBAR1 (0.77) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL26404248 0.89 GPBAR1 (0.73) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL26396138 0.89 GPBAR1 (0.73) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL5057515 0.88 OSBP (0.78) GPBAR1LMNACASP7HIF1AEPHA2
SCHEMBL17817650 0.88 OSBP (0.78) GPBAR1LMNACASP7HIF1AEPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403589-A Separation and purification method of homoharringtonine 李玉山 2022-11-29 CN disclosed
EP-0984980-B1 20-ARALKYL-5ALPHA-PREGNANE DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6177420-B1 FERTILITY CONTROL AGENTS; SIDE EFFECT REDUCTION AKZO NOBEL N.V. (NL) 2001-01-23 US 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