SCHEMBL9179142

SCHEMBL9179142

C[S+]([O-])c1ccc(-c2ccc([C@H]3C[C@]4(C)C(=O)CC[C@H]4[C@@H]4CC=C5CC6(CC[C@@H]5[C@H]43)OCCO6)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP19A1 P11511 12/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SHBG P04278 1/20 0.31
▸ SERPINA6 P08185 1/20 0.31
▸ GUSB P08236 1/20 0.31
▸ G6PD P11413 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ SRD5A2 P31213 1/20 0.30

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
SCHEMBL9174332 0.88 MAPT (0.44) POLBMAPTCYP19A1CYP3A4CYP2C9
SCHEMBL9178008 0.87 POLB (0.48) POLBMAPTCYP19A1CYP3A4CYP2C9
SCHEMBL8653911 0.87 MAPT (0.48) POLBMAPTCYP19A1CYP3A4CYP2C9
SCHEMBL9173992 0.85 CYP1B1 (0.44) POLBMAPTCYP19A1CYP3A4PGR
SCHEMBL9177699 0.85 CYP1B1 (0.44) POLBMAPTCYP19A1CYP3A4PGR
SCHEMBL9175172 0.85 MAPT (0.46) POLBMAPTCYP19A1CYP3A4CYP2C9
SCHEMBL8653835 0.85 MAPT (0.46) POLBMAPTCYP19A1CYP3A4CYP2C9
SCHEMBL9177360 0.85 POLB (0.46) POLBMAPTCYP19A1CYP3A4CYP2C9
SCHEMBL9178326 0.84 POLB (0.46) POLBMAPTCYP19A1CYP3A4CYP2C9
SCHEMBL9174016 0.84 MAPT (0.42) POLBMAPTCYP19A1CYP3A4CYP2C9

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-5405979-A Stereoselectively reducing phenyl-substituted estradiene with electropositive metal in electron-solvating solvent, cleaving ketone protective group with acid SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-11 — — US disclosed
EP-0532562-B1 PROCESS FOR PRODUCING 10$g(b)-H-STEROIDS SCHERING AG (DE) 1994-11-23 — — EP disclosed
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