SCHEMBL7701405

SCHEMBL7701405

CCCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 9/20 0.55
HPGD P15428 8/20 0.55
HSD17B10 Q99714 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MAPT P10636 2/20 0.55
TP53 P04637 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
HTT P42858 1/20 0.48
DGAT1 O75907 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7697078 0.93 HPGD (0.56) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7700048 0.91 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7703221 0.91 RAB9A (0.67) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7698680 0.87 MAPT (0.53) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7698683 0.85 MAPT (0.52) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7694301 0.85 RAB9A (0.52) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7701153 0.85 ALDH1A1 (0.63) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7699494 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7693588 0.84 KDM4E (0.65) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7698887 0.83 ALDH1A1 (0.49) NPC1RAB9AALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed