SCHEMBL8941701

SCHEMBL8941701

CC1C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 19/20 0.70

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
SCHEMBL13753075 0.82 CYP19A1 (1.00) CYP19A1
SCHEMBL10938942 0.82 CYP19A1 (1.00) CYP19A1
SCHEMBL22863539 0.82 CYP19A1 (1.00) CYP19A1
SCHEMBL948011 0.82 CYP19A1 (1.00) CYP19A1
SCHEMBL12917459 0.82 CYP19A1 (1.00) CYP19A1
SCHEMBL6691629 0.81 CYP19A1 (0.59) CYP19A1
SCHEMBL10939485 0.80 CYP19A1 (0.76) CYP19A1
SCHEMBL10939478 0.80 CYP19A1 (0.76) CYP19A1
SCHEMBL2502154 0.80 CYP3A4 (0.70) CYP19A1
SCHEMBL10537269 0.80 CYP19A1 (0.60) 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
EP-0691974-A1 ALKYLATING AGENT AND 1,4-ADDITION PROCESS OF AN ALKYL GROUP ONTO AN ALPHA, BETA-UNSATURATED KETONE COMPOUND SCHERING AG (DE) 1996-01-17 — — EP disclosed
WO-1994022878-A1 ALKYLATING AGENT AND 1,4-ADDITION PROCESS OF AN ALKYL GROUP ONTO AN ALPHA, BETA-UNSATURATED KETONE COMPOUND SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 — — WO disclosed
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