SCHEMBL11515941

SCHEMBL11515941

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.65
SRD5A1 P18405 4/20 0.65
LMNA P02545 4/20 0.59
SERPINA6 P08185 3/20 0.59
SHBG P04278 2/20 0.59
G6PD P11413 1/20 0.59
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 2/20 0.56
HIF1A Q16665 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
AR P10275 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SLC22A2 O15244 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
SCHEMBL13378032 0.89 AR (0.71) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL14726730 0.89 AR (0.71) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL8316478 0.88 G6PD (0.61) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL11348027 0.87 ESR1 (0.54) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL11348024 0.87 ESR1 (0.54) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL370474 0.86 SRD5A2 (0.62) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL13265741 0.86 SRD5A2 (0.62) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL7622300 0.86 SRD5A2 (0.62) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL14729818 0.85 SRD5A2 (0.61) SRD5A2SRD5A1LMNASERPINA6SHBG
SCHEMBL30332128 0.85 SRD5A2 (0.61) SRD5A2SRD5A1LMNASERPINA6SHBG

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