SCHEMBL7575853

SCHEMBL7575853

COc1cc(NC(C(=O)O)c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.47
POLB P06746 3/20 0.46
TMPRSS4 Q9NRS4 2/20 0.46
EPHX2 P34913 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACP1 P24666 1/20 0.43
PTPN7 P35236 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
SCHEMBL7583043 0.82 TACR1 (0.51) TACR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL14832626 0.80 CYP2C9 (0.71) CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL2485948 0.79 POLB (0.67) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13282701 0.79 POLB (0.67) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3966246 0.78 TACR1 (0.52) TACR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL7575664 0.77 ALDH1A1 (0.61) POLBMEN1KMT2AHTTLMNA
SCHEMBL16116373 0.76 SMN1; SMN2 (0.43) POLBSMN1; SMN2MEN1KMT2AHTT
SCHEMBL1832140 0.75 HDAC3 (0.48) POLBTMPRSS4EPHX2SMN1; SMN2MEN1
SCHEMBL1012287 0.74 ALDH1A1 (0.57) POLBTMPRSS4EPHX2SMN1; SMN2MEN1
SCHEMBL1818894 0.74 SMN1; SMN2 (0.49) POLBTMPRSS4EPHX2SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed