SCHEMBL8205335

SCHEMBL8205335

CNS(=O)(=O)Oc1ccc2c(c1)CCC1C2CC[C@@]2(C)C1CC[C@@H]2O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 2/20 0.80
ABCC1 P33527 1/20 0.80
STS P08842 2/20 0.78
KDM4E B2RXH2 1/20 0.78
LMNA P02545 5/20 0.72
HSD17B10 Q99714 5/20 0.72
ESR1 P03372 5/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
PGR P06401 2/20 0.70
AR P10275 2/20 0.70
SLC6A3 Q01959 2/20 0.70
ADORA3 P0DMS8 2/20 0.70
ATM Q13315 2/20 0.70
CHRM1 P11229 1/20 0.70
TBXA2R P21731 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRM1 P35372 1/20 0.70
TSHR P16473 2/20 0.65
ESR2 Q92731 2/20 0.65
KMT2A Q03164 2/20 0.65

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
SCHEMBL8205333 1.00 ABCC4 (0.80) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL8931605 0.93 ABCC1 (0.69) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL8621864 0.89 ABCC4 (0.75) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL232796 0.89 ABCC4 (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL30471686 0.89 ABCC4 (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL29392632 0.89 ABCC4 (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL232797 0.89 ABCC4 (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL4966962 0.88 KDM4E (1.00) ABCC4ABCC1STSKDM4ELMNA
E2Mate SCHEMBL5165269 0.88 STS (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL20634998 0.88 ABCC4 (0.83) ABCC4ABCC1STSKDM4ELMNA

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