SCHEMBL6971578

SCHEMBL6971578

Nc1ccccc1OC([O])=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 9/20 0.48
PTGS1 P23219 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRA2B P18089 1/20 0.48
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSD17B10 Q99714 3/20 0.41
CFTR P13569 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
LMNA P02545 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
SCHEMBL1362672 0.84 ALDH1A1 (0.50) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL32677395 0.82 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL142738 0.82 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL32677394 0.82 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL4385033 0.82 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL28857872 0.80 TSHR (0.47) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL362353 0.80 PTGS2 (0.57) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL5515138 0.78 TSHR (0.46) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL1231281 0.78 PTGS2 (0.55) SMN1; SMN2TSHRALDH1A1PTGS1TDP1
SCHEMBL13292717 0.78 SMN1; SMN2 (0.63) SMN1; SMN2TSHRALDH1A1PTGS1TDP1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed