SCHEMBL7604525

SCHEMBL7604525

O=C(O)c1c2c(c3ccccc3c1C(=O)O)CC2.O=C(O)c1ccc2ccccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.50
LDHA P00338 1/20 0.49
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GLA P06280 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC25B P30305 1/20 0.44
CSNK2A1 P68400 2/20 0.40
CDC7 O00311 1/20 0.40
EEF2K O00418 1/20 0.40
PLK4 O00444 1/20 0.40
DYRK3 O43781 1/20 0.40

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
SCHEMBL6884816 0.88 WDR5 (0.56) WDR5LDHAALDH1A1HPGDMEN1
Benzene SCHEMBL27549874 0.84 WDR5 (0.68) WDR5LDHAALDH1A1HPGDMEN1
SCHEMBL33850 0.84 WDR5 (0.68) WDR5LDHAALDH1A1HPGDMEN1
SCHEMBL29376013 0.84 WDR5 (0.68) WDR5LDHAALDH1A1HPGDMEN1
SCHEMBL84141 0.84 CDC7 (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL27804512 0.84 WDR5 (0.68) WDR5LDHAALDH1A1HPGDMEN1
Ammonia Solution, Strong SCHEMBL8803959 0.82 WDR5 (0.66) WDR5LDHAALDH1A1HPGDMEN1
SCHEMBL19307798 0.82 WDR5 (0.66) WDR5LDHAALDH1A1HPGDMEN1
SCHEMBL18812861 0.82 WDR5 (0.66) WDR5LDHAALDH1A1HPGDMEN1
Naphthalene SCHEMBL1831655 0.82 WDR5 (0.66) WDR5LDHAALDH1A1HPGDMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198331-A1 POLYESTER RESIN COMPOSITION AND A BOTTLE THEREFROM NISHIHARA SHUN-ICHI (JP) 2002-12-26 US disclosed
EP-0926197-A1 POLYESTER RESIN COMPOSITION AND BOTTLE PRODUCED FROM THE RESIN COMPOSITION MITSUBISHI PLASTICS INC. (JP) 1999-06-30 EP disclosed