SCHEMBL8749077

SCHEMBL8749077

CCCNc1c[nH]c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
HCAR3 P49019 3/20 0.38
RAB9A P51151 3/20 0.38
DAO P14920 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TRPA1 O75762 2/20 0.38
CYP1A2 P05177 1/20 0.38
NOTUM Q6P988 1/20 0.38
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
BRD4 O60885 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
CISD1 Q9NZ45 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
SCHEMBL8102674 0.83 BAZ2B (0.55) GAACYP1A2BAZ2BBAZ2A
SCHEMBL5063281 0.77 TDP1 (0.43) TDP1RAB9ADAOGAASMN1; SMN2
SCHEMBL17938286 0.76 HCAR3 (0.49) HCAR3GAATRPA1CYP1A2KDM6B
SCHEMBL15318227 0.74 HSD17B10 (0.45) TDP1RAB9ADAOGAASMN1; SMN2
SCHEMBL21956941 0.73 TRPA1 (0.49) HCAR3TRPA1CYP1A2KDM6BKDM4C
SCHEMBL5058082 0.71 NPC1 (0.38) TDP1RAB9ADAOSMN1; SMN2PKM
SCHEMBL6899153 0.70 DAO (0.60) TDP1HCAR3RAB9ADAOGAA
SCHEMBL10345206 0.70 CA12 (0.50) HCAR3GAATRPA1CYP1A2
SCHEMBL13614197 0.69 DAO (0.54) TDP1RAB9ADAOGAASMN1; SMN2
SCHEMBL20094517 0.69 MAPT (0.49) DAOSMN1; SMN2PKMBRD4

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
EP-0754739-A2 Curable coating composition KANSAI PAINT CO., LTD. (JP) 1997-01-22 EP disclosed