SCHEMBL7074718

SCHEMBL7074718

COc1ccc(NC(=O)CC(C)=O)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4C Q9H3R0 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4392689 0.88 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4C
SCHEMBL7000380 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12041039 0.83 MAPT (0.58) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL14492204 0.81 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16896837 0.81 GRM4 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL7077248 0.80 KDM4C (0.68) ALDH1A1MEN1KMT2AKDM4CCYP1A2
SCHEMBL2914555 0.79 MEN1 (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL15332191 0.79 KMT2A (0.53) ALDH1A1MEN1KMT2AKDM4CCYP1A2
SCHEMBL2552041 0.79 KDM4E (0.57) ALDH1A1MEN1KMT2AKDM4CCYP1A2
SCHEMBL805216 0.78 POLB (0.51) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100390236-C Method for preparing tetrazo pigment TOYO INK MFG CO (JP) 2008-05-28 CN disclosed
EP-1146088-B1 Method of producing disazo pigment TOYO INK MFG CO (JP) 2003-07-02 EP disclosed
US-20010041793-A1 Method of producing disazo pigment TOYO INK MFG. CO., LTD. (JP) 2001-11-15 US disclosed
EP-1146088-A1 Method of producing disazo pigment Toyo Ink Manufacturing Co. Ltd. (JP) 2001-10-17 EP disclosed
CN-1317517-A Method for preparing tetrazo pigment TOYO INK MFG CO (JP) 2001-10-17 CN disclosed
US-6303762-B1 COUPLING A TETRAZO BENZIDINES AND A MIXTURE OF N-PHENYLACETOACETAMIDES TOYO INK MFG. CO., LTD. (JP) 2001-10-16 US disclosed