SCHEMBL7583940

SCHEMBL7583940

Cc1ccc(C)c(NC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.57
HTT P42858 1/20 0.52
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 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
SCHEMBL7578510 0.88 MEN1 (0.49) BRD4HTTKMT2AALDH1A1GAA
SCHEMBL2483409 0.83 RAB9A (0.48) HTTALDH1A1GAARAB9A
Hydrochloric Acid SCHEMBL1695958 0.82 RAB9A (0.47) HTTALDH1A1GAALMNARAB9A
SCHEMBL7584780 0.82 KMT2A (0.46) BRD4HTTKMT2AALDH1A1GAA
SCHEMBL6824801 0.78 BRD4 (0.60) BRD4HTTKMT2AALDH1A1NPSR1
SCHEMBL2482091 0.77 SMN1; SMN2 (0.53) HTTKMT2AALDH1A1GAALMNA
SCHEMBL7578887 0.76 LMNA (0.50) HTTKMT2AALDH1A1LMNATSHR
SCHEMBL7574752 0.76 NPSR1 (0.53) HTTKMT2AALDH1A1GAANPSR1
SCHEMBL7583934 0.76 ALDH1A1 (0.49) HTTKMT2AALDH1A1GAANPSR1
SCHEMBL7583591 0.76 TDP1 (0.50) HTTKMT2AALDH1A1MEN1MAPT

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