SCHEMBL17907183

SCHEMBL17907183

O=C(O)c1ccc2ccc3c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c3c2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
WDR5 P61964 1/20 0.39
LDHA P00338 1/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 5/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
CDC25B P30305 1/20 0.33
CYP2C19 P33261 1/20 0.33
LCK P06239 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
SCHEMBL471822 0.88 CYP1A2 (0.48) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL9137723 0.86 CYP1A2 (0.55) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL3447012 0.82 CYP1A2 (0.55) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL20873437 0.81 CYP1A2 (0.44) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL471829 0.79 CYP1A2 (0.39) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL17907061 0.78 WDR5 (0.43) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL9167861 0.78 KMT2A (0.41) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL4944355 0.78 KMT2A (0.41) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL11928220 0.76 KMT2A (0.38) CYP1A2WDR5LDHAKMT2AALDH1A1
SCHEMBL9618164 0.76 KMT2A (0.38) CYP1A2WDR5LDHAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3659695-A1 HIGHLY CROSSLINKED HYBRID POLYIMIDE-SILSESQUIOXANE MEMBRANES Universiteit Twente (NL) 2020-06-03 EP disclosed
EP-3041599-B1 HIGHLY CROSSLINKED HYBRID POLYIMIDE-SILSESQUIOXANE MEMBRANES UNIV TWENTE (NL) 2019-10-30 EP disclosed
US-10052592-B2 Highly crosslinked hybrid polyimide-silsesquioxane membranes UNIVERSITEIT TWENTE (NL) 2018-08-21 US disclosed
US-20160199791-A1 HIGHLY CROSSLINKED HYBRID POLYIMIDE-SILSESQUIOXANE MEMBRANES UNIVERSITEIT TWENTE (NL) 2016-07-14 US disclosed
EP-3041599-A1 HIGHLY CROSSLINKED HYBRID POLYIMIDE-SILSESQUIOXANE MEMBRANES Universiteit Twente (NL) 2016-07-13 EP disclosed