SCHEMBL9580263

SCHEMBL9580263

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OSBP P22059 1/20 0.53
OSBP2 Q969R2 1/20 0.53
ST6GAL1 P15907 2/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
INPP5D Q92835 1/20 0.49
GPBAR1 Q8TDU6 4/20 0.48
CASP7 P55210 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 2/20 0.48
BLM P54132 2/20 0.48
EPHA2 P29317 2/20 0.48
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
LMNA P02545 2/20 0.48
VDR P11473 2/20 0.48
HIF1A Q16665 2/20 0.48
USP2 O75604 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
SCHEMBL16225843 0.89 CYP2D6 (0.63) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL2155391 0.89 CYP2D6 (0.63) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL16227067 0.89 CYP2D6 (0.63) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL16906787 0.88 OSBP (0.53) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL9580113 0.86 GPBAR1 (0.51) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL22572509 0.85 GPBAR1 (0.62) GPBAR1CASP7HSD17B10TDP1TP53
SCHEMBL23359045 0.85 ST6GAL1 (0.51) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL6064363 0.85 GPBAR1 (0.61) GPBAR1CASP7HSD17B10TDP1TP53
SCHEMBL6651462 0.85 ST6GAL1 (0.51) OSBPOSBP2ST6GAL1CYP2D6CYP2C19
SCHEMBL22495528 0.85 GPBAR1 (0.56) OSBPOSBP2ST6GAL1CYP2D6CYP2C19

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