SCHEMBL7654138

SCHEMBL7654138

CCC(=C(c1ccccc1)c1ccc(OCCBr)cc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.74
CYP3A4 P08684 4/20 0.74
ESR1 P03372 12/20 0.72
ESR2 Q92731 9/20 0.70
MAPT P10636 3/20 0.70
PSMB1 P20618 3/20 0.70
CYP1A2 P05177 2/20 0.70
MEN1 O00255 2/20 0.70
TP53 P04637 2/20 0.70
PGR P06401 2/20 0.70
ESRRG P62508 2/20 0.70
KMT2A Q03164 2/20 0.70
PSMB5 P28074 2/20 0.70
NPC1 O15118 1/20 0.70
NR1I2 O75469 1/20 0.70
PRKD3 O94806 1/20 0.70
ABCB11 O95342 1/20 0.70
EGFR P00533 1/20 0.70
GBA1 P04062 1/20 0.70
NR3C1 P04150 1/20 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
SCHEMBL11268363 1.00 CYP19A1 (0.74) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL10796202 1.00 CYP19A1 (0.74) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL14391816 0.94 CYP19A1 (0.67) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL18766687 0.94 CYP19A1 (0.78) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL9556698 0.94 CYP19A1 (0.78) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL29998393 0.93 CYP19A1 (0.65) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL10774659 0.93 CYP19A1 (0.72) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL8655530 0.91 CYP19A1 (0.70) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL8642027 0.91 CYP19A1 (0.70) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL8642029 0.91 CYP19A1 (0.70) CYP19A1CYP3A4ESR1ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489481-B1 COMPOUNDS USED FOR TREATMENT AND/OR PREVENTION OF NEURONAL APOPTOSIS AND/OR EXCITOTOXICITY RELATED NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-12-03 US disclosed
EP-1127045-A2 USE OF TRIPHENYLBUTENE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS AstraZeneca AB (SE) 2001-08-29 EP disclosed
WO-2000025767-A2 USE OF TRIPHENYLBUTENE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2000-05-11 WO disclosed
EP-0168175-B1 PREPARATION OF TAMOXIFEN NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-11-19 EP disclosed
EP-0168175-A1 Preparation of tamoxifen NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-15 EP disclosed