SCHEMBL8746463

SCHEMBL8746463

O=C(O)Oc1ccc2cc3c(OC(=O)O)c(OC(=O)O)ccc3cc2c1OC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
CSNK2A1 P68400 1/20 0.34
NCEH1 Q6PIU2 9/20 0.34
ADORA3 P0DMS8 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP2C19 P33261 1/20 0.31
PLAU P00749 1/20 0.31
CFD P00746 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
SCHEMBL7826659 0.91 ALDH1A1 (0.42) NCEH1ADORA3ADORA2AADORA1KDM4E
SCHEMBL8720840 0.84 NCEH1 (0.33) PIM1CSNK2A1NCEH1ADORA3ADORA2A
SCHEMBL4873463 0.83 MAPK1 (0.33) KDM4EALDH1A1GAATSHRRAB9A
SCHEMBL8723622 0.81 MAPK1 (0.32) KDM4EALDH1A1GAATSHRRAB9A
SCHEMBL7068984 0.81 NCEH1 (0.45) NCEH1KDM4EALDH1A1GAARAB9A
SCHEMBL1039198 0.80 MAPK1 (0.36) KDM4EALDH1A1GAATSHRRAB9A
SCHEMBL8193303 0.80 KDM4E (0.40) NCEH1KDM4EALDH1A1KMT2A
SCHEMBL9354051 0.79 KDM4E (0.32) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL9649992 0.76 ALDH1A1 (0.44) NCEH1KDM4EALDH1A1GAAHPGD
SCHEMBL16641159 0.74 ELANE (0.38) NCEH1ADORA3ADORA2AADORA1KDM4E

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-0540829-B1 Novel liquid crystal alignment treating agent NISSAN CHEMICAL IND LTD (JP) 1997-02-26 EP claimed