SCHEMBL4010739

SCHEMBL4010739

CCCc1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1OC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
TNKS O95271 4/20 0.40
TNKS2 Q9H2K2 4/20 0.40
PARP2 Q9UGN5 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE5A O76074 1/20 0.39
RAB9A P51151 1/20 0.38
GUSB P08236 1/20 0.38
PARP1 P09874 1/20 0.38
ALPL P05186 1/20 0.37
TARBP2 Q15633 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4007745 0.86 SIRT2 (0.48) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL4007817 0.82 SIRT2 (0.45) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL8032162 0.82 SIRT2 (0.52) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL4017101 0.81 TSHR (0.43) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL4008624 0.79 USP2 (0.41) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL8036853 0.74 SIRT2 (0.54) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL4010263 0.74 DHPS (0.41) SIRT2RAB9ATARBP2ALOX5MAPT
Oxalic Acid SCHEMBL31679107 0.73 SIRT2 (0.44) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL23736192 0.72 HEXA (0.47) SIRT2SIRT1SIRT3TNKSTNKS2
SCHEMBL4011727 0.72 RAB9A (0.41) SIRT2SIRT1SIRT3HSD17B10RAB9A

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
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed