SCHEMBL6839045

SCHEMBL6839045

C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
SRD5A2 P31213 5/20 0.48
SRD5A1 P18405 3/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
HSD3B1 P14060 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 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
SCHEMBL6839046 1.00 AKR1B10 (0.49) AKR1B10AKR1B1GPBAR1SRD5A2SRD5A1
SCHEMBL2510574 0.91 AKR1B10 (0.61) AKR1B10AKR1B1GPBAR1ABCB11LMNA
SCHEMBL28731819 0.89 AKR1B10 (0.47) AKR1B10AKR1B1GPBAR1SRD5A2SRD5A1
SCHEMBL17503652 0.85 AKR1B10 (0.44) AKR1B10AKR1B1GPBAR1SRD5A2SRD5A1
SCHEMBL9574630 0.85 SRD5A2 (0.68) SRD5A2SRD5A1ABCC4ABCB11LMNA
SCHEMBL867595 0.84 AR (0.61) GPBAR1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL7193192 0.84 AR (0.61) GPBAR1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL867596 0.84 AR (0.61) GPBAR1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL2281371 0.84 AR (0.61) GPBAR1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL15259496 0.84 AR (0.61) GPBAR1LMNACYP3A4CYP2C9CYP2C19

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
US-6762193-B1 Method of treating hair loss SANDERS JR RICHARD J (US) 2004-07-13 US disclosed
US-6440994-B1 Method of treating acne SANDERS JR RICHARD J (US) 2002-08-27 US disclosed