SCHEMBL7546202

SCHEMBL7546202

CCCC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCN(Cc2cccs2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 7/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.39
GAA P10253 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
SCHEMBL6761509 0.84 HPGD (0.40) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1
SCHEMBL4427904 0.84 POLB (0.42) TAS1R3TAS1R1HPGDGAA
SCHEMBL4426829 0.83 POLB (0.42) TAS1R3TAS1R1HPGDGAA
SCHEMBL4428468 0.79 POLB (0.43) RAB9ANPC1TAS1R3TAS1R1ALDH1A1
SCHEMBL4431181 0.71 POLB (0.40) KMT2AALDH1A1HPGDMAPK1KDM4E
SCHEMBL1486246 0.66 TAS1R3 (0.65) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1
SCHEMBL4201407 0.66 TAS1R3 (1.00) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1
SCHEMBL14255869 0.63 TAS1R3 (0.60) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1
SCHEMBL13144657 0.63 HPGD (0.46) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL12829017 0.63 LMNA (0.65) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1

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-1189881-A4 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-11-27 EP disclosed
EP-1189881-A1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-03-27 EP disclosed
WO-2000068188-A1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-16 WO disclosed