SCHEMBL7655751

SCHEMBL7655751

CCOC(=O)c1c(O)c(NC(=O)OCc2ccccc2)cn1C.CCc1c(C(=O)O)c(O)c(C(=O)O)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SPR P35270 1/20 0.37
NAMPT P43490 1/20 0.36
MAOB P27338 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CASP3 P42574 1/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7661047 0.88 RAB9A (0.54) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7669102 0.78 CRHBP (0.43) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7660400 0.76 RAB9A (0.52) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5863762 0.68 NPC1 (0.61) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27506182 0.66 NPC1 (0.58) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10489681 0.66 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL12552814 0.65 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL20389370 0.65 NAMPT (0.76) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10489837 0.65 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9588889 0.64 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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
US-6472537-B1 POLYMERS FROM PRIMARY AMINE AND CARBOXYLIC ACID SUBSTITUTED PYROLE, HYDROXYPYROLE AND IMIDAZOLE MONOMERS AND HAVING 4-AMINOBUTYRIC ACID LINKER FORMING HAIRPIN TURNS AND OPTION-ALLY AMINO ACID RESIDUES; BINDING TO SPECIFIC CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-10-29 US disclosed