SCHEMBL8214022

SCHEMBL8214022

C[C@@]12CCCC1C1CCc3cc(OS(=O)(=O)N4CC4)ccc3C1CC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.76
SHBG P04278 1/20 0.61
ABCC4 O15439 3/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
ABCC1 P33527 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP2C9 P11712 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
ESR1 P03372 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
ESR2 Q92731 1/20 0.53
HRH3 Q9Y5N1 3/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B1 P14061 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL8629445 0.86 STS (0.80) STSSHBGABCC4CA1CA2
SCHEMBL3384069 0.86 STS (1.00) STSSHBGCA1CA2CA9
SCHEMBL3384071 0.86 STS (1.00) STSSHBGCA1CA2CA9
SCHEMBL23645588 0.82 STS (0.74) STSSHBGABCC4CA1CA2
SCHEMBL2232239 0.82 STS (0.74) STSSHBGABCC4CA1CA2
SCHEMBL14252903 0.80 STS (0.70) STSSHBGABCC4CA1CA2
SCHEMBL9109474 0.80 STS (0.70) STSSHBGABCC4ABCC1KDM4E
SCHEMBL30751965 0.79 SHBG (0.69) STSSHBGABCC4ABCC1KDM4E
SCHEMBL4384387 0.78 ESR1 (0.70) STSSHBGESR1ESR2CYP3A4
SCHEMBL8145247 0.77 HRH3 (0.71) STSSHBGHRH3KCNH2

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-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