SCHEMBL9521280

SCHEMBL9521280

C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)/C(=C(\O)CO)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.69
NR3C1 P04150 1/20 0.51

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
SCHEMBL9521283 1.00 CYP19A1 (0.69) CYP19A1NR3C1
SCHEMBL8999942 0.85 CYP19A1 (0.59) CYP19A1NR3C1
SCHEMBL11488618 0.83 CYP19A1 (0.69) CYP19A1NR3C1
SCHEMBL10625487 0.82 CYP19A1 (0.67) CYP19A1NR3C1
SCHEMBL14284877 0.82 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL10625133 0.82 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL1421773 0.82 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL9522979 0.80 NFKB1 (0.58) CYP19A1
SCHEMBL9522974 0.80 NFKB1 (0.58) CYP19A1
SCHEMBL9073294 0.79 CYP19A1 (0.63) CYP19A1NR3C1

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
EP-0474668-B1 CONVERSION OF DELTA 16-STEROID TO A DELTA 17(20)-20-SILYL ETHER THE UPJOHN COMPANY (US) 1993-08-25 EP claimed