SCHEMBL9098763

SCHEMBL9098763

CC(N)Oc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
HTR6 P50406 1/20 0.57
ESR1 P03372 12/20 0.56
CYP19A1 P11511 7/20 0.56
ESR2 Q92731 7/20 0.56
ESRRG P62508 3/20 0.53
CYP3A4 P08684 2/20 0.44
PTGS2 P35354 1/20 0.43
ESRRB O95718 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP3A5 P20815 1/20 0.40

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
SCHEMBL906290 1.00 LMNA (0.57) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL906294 1.00 LMNA (0.57) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL15649793 0.87 LMNA (0.59) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL7723737 0.87 LMNA (0.59) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL8500019 0.87 LMNA (0.59) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL5739365 0.83 LMNA (0.54) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL17506017 0.81 LMNA (0.64) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL17506016 0.81 LMNA (0.64) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL17506015 0.81 LMNA (0.64) LMNAHTR6ESR1CYP19A1ESR2
SCHEMBL28839456 0.81 LMNA (0.52) LMNAHTR6ESR1CYP19A1ESR2

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-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 US disclosed