SCHEMBL11319086

SCHEMBL11319086

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 1.00
ESR1 P03372 4/20 0.65
AR P10275 4/20 0.65
ESR2 Q92731 4/20 0.65
SHBG P04278 1/20 0.58
SERPINA6 P08185 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL11514201 1.00 CYP19A1 (1.00) CYP19A1ESR1ARESR2SHBG
SCHEMBL9694107 1.00 CYP19A1 (1.00) CYP19A1ESR1ARESR2SHBG
SCHEMBL15164608 0.83 CYP19A1 (0.71) CYP19A1ESR1ARESR2
SCHEMBL15164651 0.83 CYP19A1 (0.71) CYP19A1ESR1ARESR2
SCHEMBL12178028 0.83 CYP19A1 (0.71) CYP19A1SHBGSERPINA6
SCHEMBL2590991 0.83 CYP19A1 (0.71) CYP19A1ESR1ARESR2
SCHEMBL2593080 0.83 CYP19A1 (0.71) CYP19A1SHBGSERPINA6
SCHEMBL2590989 0.83 CYP19A1 (0.71) CYP19A1ESR1ARESR2
SCHEMBL11518145 0.82 CYP19A1 (0.70) CYP19A1ESR1ARESR2SHBG
SCHEMBL8623817 0.82 CYP19A1 (0.70) CYP19A1ESR1ARESR2SHBG

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-4272445-A STEROIDS, BASIC CATALYSTS, ALKYLATION BEECHAM GROUP LIMITED (GB) 1981-06-09 US claimed