SCHEMBL11517545

SCHEMBL11517545

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(O)CC[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.73
CYP19A1 P11511 16/20 0.52
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
SERPINA6 P08185 1/20 0.48
GUSB P08236 1/20 0.48
CYP3A4 P08684 1/20 0.48
G6PD P11413 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
TSHR P16473 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
SCHEMBL17562405 0.86 SRD5A2 (0.71) SRD5A2CYP19A1MEN1LMNASHBG
SCHEMBL16387357 0.86 SRD5A2 (0.71) SRD5A2CYP19A1MEN1LMNASHBG
SCHEMBL9226232 0.84 SRD5A2 (0.68) SRD5A2CYP19A1MEN1LMNASHBG
SCHEMBL9226234 0.84 SRD5A2 (0.68) SRD5A2CYP19A1MEN1LMNASHBG
SCHEMBL21140787 0.82 SRD5A2 (0.69) SRD5A2CYP19A1MEN1LMNASHBG
SCHEMBL2909333 0.82 SRD5A2 (0.69) SRD5A2CYP19A1MEN1LMNASHBG
SCHEMBL17591557 0.80 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL15079264 0.80 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL17831186 0.80 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL6379452 0.80 SRD5A2 (0.63) SRD5A2CYP19A1

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-4150126-A ANTITUMOR AND ANTICARCINOGENIC AGENTS AND ANIBODY INHIBITORS AKTIEBOLAGET LEO (SE) 1979-04-17 US disclosed