SCHEMBL9661905

SCHEMBL9661905

CCC(=C(c1ccc(O)cc1)c1ccc(OCCCl)cc1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 0.78
▸ ESR1 P03372 14/20 0.76
▸ ESR2 Q92731 11/20 0.76
▸ CYP3A4 P08684 4/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ CYP2A6 P11509 2/20 0.76
▸ CYP3A5 P20815 2/20 0.76
▸ KDM4E B2RXH2 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ MAPT P10636 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ HIF1A Q16665 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ PLD2 O14939 1/20 0.73
▸ ESRRB O95718 1/20 0.73
▸ PGR P06401 1/20 0.73
▸ ESRRG P62508 1/20 0.73

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
SCHEMBL9661897 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL18840065 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL10796143 0.94 CYP19A1 (0.74) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL10796138 0.94 CYP19A1 (0.74) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL8652610 0.90 CYP19A1 (0.64) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL18284333 0.90 CYP19A1 (0.64) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL18290928 0.90 CYP19A1 (0.64) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL16233656 0.89 CYP19A1 (0.82) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL18291054 0.89 ESR1 (0.82) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL10774708 0.89 CYP19A1 (0.74) CYP19A1ESR1ESR2CYP3A4CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017080770-A1 SYNTHESIS OF (Z)-ENDOXIFEN HYDROCHLORIDE ROBERT BOSCH GESELLSCHAFT FÜR MEDIZINISCHE FORSCHUNG MBH (DE) 2017-05-18 — — WO disclosed
EP-0287690-B1 STABLE SOLVENT ADDUCTS OF Z-1-(P-BETA-DIMETHYLAMINO-ETHOXYPHENYL)-1-(P-HYDROXYPHENYL)-2-PHENYLBUT-1-ENE HEUMANN PHARMA GMBH & CO (DE) 1992-09-02 — — EP disclosed
US-4973755-A ANTIESTROGENS HEUMANN PHARMA GMBH & CO. (DE) 1990-11-27 — — US disclosed
EP-0287690-A1 Stable solvent adducts of Z-1-(p-beta-dimethylamino-ethoxyphenyl)-1-(p-hydroxyphenyl)-2-phenylbut-1-ene HEUMANN PHARMA GMBH & CO (DE) 1988-10-26 — — EP disclosed
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