SCHEMBL146716

SCHEMBL146716

ClC(Cl)(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
NFE2L2 Q16236 2/20 0.38
CYP19A1 P11511 2/20 0.38
MAOA P21397 2/20 0.38
TRPA1 O75762 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37
HDAC3 O15379 1/20 0.37
TNKS O95271 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL7633183 0.80 MAOB (0.52) MAOBTSHRCYP2C19ALDH1A1LMNA
SCHEMBL4446279 0.76 MAOB (0.48) MAOBTSHRCYP2C19ALDH1A1LMNA
SCHEMBL8001481 0.74 TSHR (0.46) TSHRALDH1A1MAPK1CYP1A2MAPT
SCHEMBL9774964 0.73 TSHR (0.50) TSHRALDH1A1MAPK1CYP1A2
SCHEMBL28706854 0.73 CYP2C19 (0.50) MAOBTSHRCYP2C19ALDH1A1LMNA
SCHEMBL6546422 0.73 CYP2C19 (0.50) MAOBTSHRCYP2C19ALDH1A1LMNA
SCHEMBL20654553 0.73 ALDH1A1 (0.44) MAOBTSHRCYP2C19ALDH1A1LMNA
SCHEMBL4630827 0.73 KDM4E (0.48) MAOBTSHRCYP2C19ALDH1A1LMNA
SCHEMBL4630824 0.73 KDM4E (0.48) MAOBTSHRCYP2C19ALDH1A1LMNA
SCHEMBL4789182 0.73 CYP2C19 (0.50) MAOBTSHRCYP2C19ALDH1A1LMNA

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-20120059137-A1 MONODISPERSE CHLOROMETHYLSTYRENE POLYMER AND PRODUCING METHOD THEREOF AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed