SCHEMBL9580266

SCHEMBL9580266

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OSBP P22059 1/20 0.52
OSBP2 Q969R2 1/20 0.52
ST6GAL1 P15907 2/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
GRIN2A Q12879 2/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
INPP5D Q92835 1/20 0.48
CASP7 P55210 3/20 0.48
TP53 P04637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GPBAR1 Q8TDU6 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
BLM P54132 2/20 0.48
USP2 O75604 2/20 0.48
EPHA2 P29317 2/20 0.48
AKR1B10 O60218 2/20 0.48

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
SCHEMBL29689457 0.89 CYP2D6 (0.62) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL2155401 0.89 CYP2D6 (0.62) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL7528741 0.87 GRIN2A (0.52) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL6879512 0.85 GPBAR1 (0.55) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL1490581 0.85 GPBAR1 (0.55) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL5790619 0.85 ST6GAL1 (0.50) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL9580263 0.84 OSBP (0.53) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL5667888 0.83 VDR (0.69) CASP7TP53HSD17B10GPBAR1TDP1
SCHEMBL7666745 0.83 GPBAR1 (0.50) OSBPOSBP2ST6GAL1CYP2C19GRIN2A
SCHEMBL5154450 0.83 VDR (0.69) CASP7TP53HSD17B10GPBAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562849-A2 Steroid derivatives ELI LILLY AND COMPANY (US) 1993-09-29 EP claimed
EP-0562849-A2 Steroid derivatives ELI LILLY AND COMPANY (US) 1993-09-29 EP disclosed