SCHEMBL11744396

SCHEMBL11744396

CC(OC(=O)C(C)(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(COC=O)[C@H]3CC[C@@]21C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 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
SCHEMBL11744390 1.00 CYP19A1 (0.30) CYP19A1
SCHEMBL11747968 0.89 LMNA (0.31) CYP19A1
SCHEMBL11747974 0.89 LMNA (0.31) CYP19A1
SCHEMBL11516496 0.89 LMNA (0.33) CYP19A1
SCHEMBL11516494 0.89 LMNA (0.33) CYP19A1
SCHEMBL11745750 0.85
SCHEMBL11745758 0.85
SCHEMBL11747464 0.84 CYP19A1 (0.31) CYP19A1
SCHEMBL11747455 0.84 CYP19A1 (0.31) CYP19A1
SCHEMBL11741999 0.78 PGR (0.33) CYP19A1

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-4058539-A 4,6,8(14)-Triene steroids STEELE CHEMICALS CO. LTD. (CA) 1977-11-15 US claimed
US-4058539-A 4,6,8(14)-Triene steroids STEELE CHEMICALS CO. LTD. (CA) 1977-11-15 US disclosed