SCHEMBL11220839

SCHEMBL11220839

CCC(c1ccc(O)cc1Br)c1ccc(O)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.38
▸ ESR1 P03372 5/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL11351052 0.82 ESR1 (0.35) TYRESR1CYP3A4CYP1A2ALOX15
SCHEMBL11346520 0.80 ESR1 (0.34) TYRESR1CYP3A4CYP1A2MAPT
SCHEMBL11357700 0.80 ESR1 (0.38) TYRESR1CYP3A4CYP1A2ALOX15
SCHEMBL5439730 0.79 TYR (0.53) TYRBCHEACHE
SCHEMBL5710009 0.79 TP53 (0.42) TYRESR1CYP3A4LMNACHRM2
SCHEMBL4639575 0.78 ESR2 (0.47) TYRESR1CYP2C9OPRM1CYP3A4
SCHEMBL30810150 0.77 GABRA1 (0.46) TYRESR1CYP2C9CYP3A4LMNA
SCHEMBL27243340 0.77 GABRA1 (0.46) TYRESR1CYP2C9CYP3A4LMNA
SCHEMBL10634489 0.76 ESR1 (0.40) TYRESR1CYP3A4LMNAMAPT
SCHEMBL11402636 0.76 TYR (0.42) TYRESR1CYP2C9OPRM1CYP3A4

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
JP-57192443-A — — None — — JP disclosed
JP-S57192443-A FLAME-RETARDANT POLYPROPYLENE COMPOSITION TEIJIN CHEM LTD 1982-11-26 — — JP disclosed
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