SCHEMBL7703522

SCHEMBL7703522

CCC(C(=O)O)n1c(C)ccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ELANE P08246 7/20 0.51
CASP1 P29466 1/20 0.51
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGLL Q99685 2/20 0.45

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
SCHEMBL950663 0.86 ELANE (0.55) NPC1RAB9AELANECASP1F2
SCHEMBL7027446 0.83 ELANE (0.55) NPC1RAB9AELANECASP1F2
SCHEMBL6852036 0.83 ELANE (0.54) NPC1RAB9AELANECASP1F2
SCHEMBL12273254 0.81 NPC1 (0.53) NPC1RAB9AELANECASP1KMT2A
SCHEMBL4902533 0.81 NPC1 (0.53) NPC1RAB9AELANECASP1KMT2A
SCHEMBL8642645 0.80 NPC1 (0.60) NPC1RAB9AELANECASP1F2
SCHEMBL2798490 0.77 ELANE (0.64) NPC1RAB9AELANECASP1F2
SCHEMBL7322304 0.76 NPC1 (0.55) NPC1RAB9AELANECASP1F2
SCHEMBL948869 0.76 ELANE (0.56) NPC1RAB9AELANECASP1L3MBTL1
SCHEMBL8842031 0.75 ELANE (0.49) NPC1RAB9AELANECTRCSMN1; SMN2

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
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed