SCHEMBL9738951

SCHEMBL9738951

Nc1cc2c3cccc4cccc(c5c(C(=O)O)c(C(=O)O)c(C(=O)O)c(c1C(=O)O)c25)c43

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.41
CYP1A2 P05177 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 2/20 0.41
GLA P06280 2/20 0.41
IDO1 P14902 1/20 0.36
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
CDC25B P30305 1/20 0.34
DHODH Q02127 1/20 0.34
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33

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
SCHEMBL10905167 0.82 HSD17B10 (0.41) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL27787172 0.82 ALDH1A1 (0.41) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL4885354 0.82 HSD17B10 (0.48) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL28853619 0.79 HSD17B10 (0.38) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL29958351 0.79 HSD17B10 (0.38) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL4949003 0.79 KMT2A (0.46) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL26963211 0.78 HSD17B10 (0.42) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL28009715 0.78 KDM4E (0.42) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL29450079 0.77 HSD17B10 (0.47) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL186130 0.77 HSD17B10 (0.47) HSD17B10CYP1A2KDM4EALDH1A1HPGD

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-5139909-A Unsymmetrical XEROX CORPORATION (US) 1992-08-18 US disclosed