SCHEMBL14040482

SCHEMBL14040482

BC(Br)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.50
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
SRC P12931 1/20 0.41
PTPN1 P18031 2/20 0.40
CYP1A2 P05177 1/20 0.40
GSK3B P49841 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 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
SCHEMBL14539927 0.79 CES1 (0.56) CES1CES2TSHRALDH1A1DAO
SCHEMBL14384148 0.79 CES1 (0.56) CES1CES2TSHRALDH1A1DAO
SCHEMBL6248474 0.77 CES1 (0.54) CES1CES2TSHRALDH1A1DAO
SCHEMBL10611573 0.77 CES1 (0.58) CES1CES2TSHRALDH1A1DAO
SCHEMBL1799477 0.76 CES1 (0.64) CES1CES2TSHRALDH1A1DAO
SCHEMBL14040472 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL972914 0.76 CES1 (0.57) CES1CES2TSHRALDH1A1DAO
SCHEMBL19734873 0.76 MAPT (0.54) TSHRCYP1A2MAPTTDP1CYP3A4
SCHEMBL15519395 0.75 CES1 (0.56) CES1CES2TSHRALDH1A1DAO
SCHEMBL1666976 0.75 CES1 (0.61) CES1CES2TSHRALDH1A1DAO

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
EP-1627736-B1 Method of manufacturing light sensitive planographic printing plates and method of using the same KONICA MINOLTA MED & GRAPHIC (JP) 2008-10-01 EP disclosed