SCHEMBL8925513

SCHEMBL8925513

CC(C)C1C[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1NC(=O)NCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.36
OPRL1 P41146 3/20 0.36
OPRM1 P35372 1/20 0.36
DRD4 P21917 1/20 0.35
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
G6PD P11413 1/20 0.33
EPHX2 P34913 1/20 0.33
EPHA2 P29317 2/20 0.33
KDM5A P29375 1/20 0.33
ACHE P22303 1/20 0.33
CCR1 P32246 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC1A2 P43004 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL8926419 0.87 ACHE (0.41) SRD5A2ACHE
SCHEMBL8927216 0.84 SRD5A2 (0.34) SRD5A2G6PDACHE
SCHEMBL8926272 0.80 NR1H4 (0.37) SRD5A2HTTACHENR1H4
SCHEMBL8925509 0.79 SRD5A1 (0.52) SRD5A2
SCHEMBL8926795 0.78 NR1H4 (0.36) SRD5A2HTTACHENR1H4
SCHEMBL8926937 0.77 SRD5A2 (0.38) SRD5A2G6PD
SCHEMBL8925996 0.76 ALDH1A1 (0.37) SRD5A2ACHE
SCHEMBL8927056 0.73 SRD5A2 (0.33) SRD5A2
SCHEMBL8726903 0.72 SRD5A1 (0.43) SRD5A2EPHX2
SCHEMBL8726908 0.72 SRD5A1 (0.43) SRD5A2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed