SCHEMBL5720697

SCHEMBL5720697

C=C(C)CNc1ccc(C(=O)O)c(OC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
USP2 O75604 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 3/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ESR1 P03372 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
GGT1 P19440 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CFD P00746 2/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5961640 0.80 BCL2L1 (0.52) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL2350573 0.79 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL7155169 0.78 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL4575689 0.77 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10TSHRPTGS2
Alminoprofen SCHEMBL8183792 0.76 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL2351442 0.75 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL24072456 0.74 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL28787539 0.73 EGFR (0.51) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL27809392 0.73 EGFR (0.51) KDM4EALDH1A1HSD17B10USP2BLM
SCHEMBL16005420 0.72 CA12 (0.49) KDM4EALDH1A1HSD17B10HPGDUSP2

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
EP-1597301-A4 HIGH MOLECULAR WEIGHT POLYMERS CONTAINING PENDENT SALICYCLIC ACID GROUPS FOR CLARIFYING BAYER PROCESS LIQUORS NALCO CO (US) 2006-05-17 EP disclosed
EP-1597301-A2 HIGH MOLECULAR WEIGHT POLYMERS CONTAINING PENDENT SALICYCLIC ACID GROUPS FOR CLARIFYING BAYER PROCESS LIQUORS Nalco Company (US) 2005-11-23 EP disclosed
WO-2004076510-A2 HIGH MOLECULAR WEIGHT POLYMERS CONTAINING PENDENT SALICYCLIC ACID GROUPS FOR CLARIFYING BAYER PROCESS LIQUORS NALCO COMPANY (US) 2004-09-10 WO disclosed