SCHEMBL9953257

SCHEMBL9953257

Cc1cc(-c2cccc(-c3ccccc3)c2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.41
MAOA P21397 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
KMO O15229 1/20 0.39

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
SCHEMBL24608790 0.96 CRHBP (0.47) ALDH1A1MAPK1HSD17B1HSD17B2CYP3A4
SCHEMBL15678829 0.96 CRHBP (0.47) ALDH1A1MAPK1HSD17B1HSD17B2CYP3A4
SCHEMBL458236 0.96 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B1HSD17B2CYP3A4
SCHEMBL16200431 0.96 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B1HSD17B2CYP3A4
SCHEMBL31453990 0.85 L3MBTL1 (0.52) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4303038 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B1HSD17B2CYP3A4CYP1A2
SCHEMBL15197449 0.83 CRHBP (0.47) ALDH1A1MAPK1HSD17B1HSD17B2CRHBP
SCHEMBL15498046 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1HSD17B1HSD17B2CYP3A4
SCHEMBL12440897 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B1HSD17B2CYP3A4CYP1A2
SCHEMBL18518742 0.79 L3MBTL1 (0.53) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9685613-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-20 US disclosed
EP-2655316-A2 ELECTROACTIVE MATERIALS E.I. Du Pont De Nemours And Company (US) 2013-10-30 EP disclosed
US-20130248847-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248848-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E.I. DU PONT NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
WO-2012087930-A2 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087977-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed