SCHEMBL7380737

SCHEMBL7380737

CCOC(=O)C(Cc1ccccc1)N(NC(=O)c1cccc(NC(=N)N)c1)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PLAU P00749 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL7382733 0.93 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7466483 0.91 NPC1 (0.45) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL7377947 0.89 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7408424 0.89 ALDH1A1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7409600 0.88 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL7375593 0.83 ALDH1A1 (0.42) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7380439 0.82 ALDH1A1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7382269 0.82 NR1H4 (0.41) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL7379500 0.81 ALDH1A1 (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7377262 0.80 SLC7A5 (0.39) MAPTNPC1RAB9ASMN1; SMN2HTT

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-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed