SCHEMBL8206491

SCHEMBL8206491

CNS(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@]3(O)CC[C@@]12CC3

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 13/20 0.48
ABCC4 O15439 3/20 0.48
ABCC1 P33527 2/20 0.48
CYP2C9 P11712 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
KDM4E B2RXH2 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ESR1 P03372 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B1 P14061 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8206494 1.00 STS (0.48) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL9627672 0.84 LMNA (0.55) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL6364711 0.83 STS (0.46) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL6364709 0.83 STS (0.46) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL9628223 0.82 LMNA (0.57) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL8938753 0.81 LMNA (0.51) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL9627648 0.80 MAPT (0.59) STSABCC4ABCC1CYP2C9SLCO1B1
SCHEMBL8959369 0.79 ESR1 (0.53) STSCYP2C9ESR1ESR2CYP3A4
SCHEMBL514373 0.79 ESR1 (0.53) STSCYP2C9ESR1ESR2CYP3A4
SCHEMBL29500480 0.79 ESR1 (0.53) STSCYP2C9ESR1ESR2CYP3A4

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-6080735-A SUITABLE FOR HORMONAL CONTRACEPTION AND CLIMACTERIC HORMONE REPLACEMENT THERAPY (HRT) AS WELL AS FOR TREATMENT OF GYNECOLOGICAL AND ANDROLOGICAL DISEASES JENAPHARM GMBH & CO. KG (DE) 2000-06-27 US claimed
US-6080735-A SUITABLE FOR HORMONAL CONTRACEPTION AND CLIMACTERIC HORMONE REPLACEMENT THERAPY (HRT) AS WELL AS FOR TREATMENT OF GYNECOLOGICAL AND ANDROLOGICAL DISEASES JENAPHARM GMBH & CO. KG (DE) 2000-06-27 US disclosed