SCHEMBL7607772

SCHEMBL7607772

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.61
HIF1A Q16665 3/20 0.61
VDR P11473 3/20 0.61
CYP2C9 P11712 2/20 0.61
USP2 O75604 4/20 0.56
CASP7 P55210 3/20 0.56
HSD17B10 Q99714 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
BLM P54132 2/20 0.56
EPHA2 P29317 2/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
CYP3A4 P08684 2/20 0.56
MDM4 O15151 1/20 0.56
HSPD1 P10809 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL7552067 0.92 GPBAR1 (0.72) GPBAR1HIF1AVDRCYP2C9USP2
SCHEMBL7606272 0.89 GPBAR1 (0.70) GPBAR1HIF1AVDRUSP2CASP7
SCHEMBL6428952 0.89 GPBAR1 (0.70) GPBAR1HIF1AVDRUSP2CASP7
SCHEMBL8965370 0.82 GPBAR1 (0.78) GPBAR1HIF1AVDRCYP2C9USP2
SCHEMBL16225763 0.82 NPC1L1 (0.64) USP2LMNATP53MEN1KMT2A
SCHEMBL16226626 0.82 NPC1L1 (0.64) USP2LMNATP53MEN1KMT2A
SCHEMBL16226433 0.82 NPC1L1 (0.64) USP2LMNATP53MEN1KMT2A
SCHEMBL10932516 0.77 GPBAR1 (0.54) GPBAR1HIF1AVDRUSP2CASP7
SCHEMBL935606 0.77 GPBAR1 (0.54) GPBAR1HIF1AVDRUSP2CASP7
SCHEMBL15156946 0.77 GPBAR1 (0.54) GPBAR1HIF1AVDRUSP2CASP7

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-1255566-A2 PREPARATION OF AQUEOUS CLEAR SOLUTION DOSAGE FORMS WITH BILE ACIDS Yoo, Seo Hong (US) 2002-11-13 EP disclosed
WO-2001056547-A2 PREPARATION OF AQUEOUS CLEAR SOLUTION DOSAGE FORMS WITH BILE ACIDS YOO SEO HONG (US) 2001-08-09 WO disclosed