SCHEMBL17907195

SCHEMBL17907195

O=C(O)c1cc(C(=O)O)c2c(C(=O)O)cc(C(=O)O)c(C(=O)O)c2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 5/20 0.38
ALOX15 P16050 2/20 0.38
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
TSHR P16473 3/20 0.34
PTGS2 P35354 2/20 0.34
ALOX5 P09917 1/20 0.34
AKR1C3 P42330 1/20 0.34
HSD17B10 Q99714 5/20 0.34
HPGD P15428 3/20 0.34
CYP2C9 P11712 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
ALOX12 P18054 1/20 0.34
ATIC P31939 1/20 0.34

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
SCHEMBL338428 0.92 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15CA1CA2
SCHEMBL30879541 0.90 CYP1A2 (0.40) CYP1A2ALDH1A1ALOX15CA1CA2
SCHEMBL5947642 0.88 CYP1A2 (0.64) CYP1A2ALDH1A1ALOX15CA1CA2
SCHEMBL31115305 0.88 CYP1A2 (0.64) CYP1A2ALDH1A1ALOX15CA1CA2
Mellitic Acid SCHEMBL11153446 0.80 ALDH1A1 (0.43) CYP1A2ALDH1A1ALOX15CA1CA2
Benzenepentacarboxylic Acid SCHEMBL432193 0.80 ALDH1A1 (0.43) CYP1A2ALDH1A1ALOX15CA1CA2
SCHEMBL30254 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1CA1CA2CA12
SCHEMBL29764032 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1CA1CA2CA12
SCHEMBL19582619 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15CA1CA2
SCHEMBL25413731 0.78 ALDH1A1 (0.41) CYP1A2ALDH1A1ALOX15CA1CA2

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