SCHEMBL8400710

SCHEMBL8400710

O=C(O)c1ccc2cc3cc4c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c4c(C(=O)O)c3c(C(=O)O)c2c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP2C19 P33261 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
WDR5 P61964 1/20 0.35
LDHA P00338 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CDC25A P30304 1/20 0.31

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
SCHEMBL471829 0.97 CYP1A2 (0.39) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL471863 0.83 MEN1 (0.36) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL471844 0.79 HSD17B10 (0.49) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL471822 0.79 CYP1A2 (0.48) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL2270685 0.77 HSD17B10 (0.50) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL3447012 0.76 CYP1A2 (0.55) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL17907183 0.76 CYP1A2 (0.41) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL1374095 0.74 CYP1A2 (0.42) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL258673 0.73 ALDH1A1 (0.48) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL471893 0.73 CYP1A2 (0.39) MEN1KMT2AHSD17B10ALDH1A1CYP1A2

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-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed