SCHEMBL16115116

SCHEMBL16115116

CC(=O)Oc1ccc(C(=O)O)c(C(=O)OC(C)(C)C)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.45
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
GGT1 P19440 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL29510775 0.85 GRM6 (0.44) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL30141457 0.85 GRM6 (0.44) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL16114814 0.82 KDM4E (0.40) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL16115645 0.81 CASP7 (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3256091 0.80 GRM6 (0.43) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL16114360 0.75 MMP2 (0.42) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL8651108 0.74 GRM6 (0.40) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL7071952 0.74 GRM6 (0.41) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL27668933 0.74 GRM6 (0.41) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL27770533 0.74 GRM6 (0.41) KDM4EALDH1A1HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed
EP-2968667-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP Assets B.V. (NL) 2016-01-20 EP disclosed
WO-2014158288-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP ASSETS B.V. (NL) 2014-10-02 WO disclosed