SCHEMBL4353430

SCHEMBL4353430

O=C(O)c1ooc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
DAO P14920 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
MCL1 Q07820 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL8740206 0.84 CYP1A2 (0.46) CYP1A2
SCHEMBL1582401 0.74 CYP1A2 (1.00) CYP1A2MEN1KMT2ACA1CA2
Mellitic Acid SCHEMBL23507 0.58 CYP1A2 (0.50) CYP1A2TSHRTP53MEN1KMT2A
SCHEMBL9635649 0.58 CA1 (0.40) CYP1A2TSHRTP53CA1CA2
Mellitic Acid SCHEMBL22971 0.58 CYP1A2 (0.50) CYP1A2TSHRTP53MEN1KMT2A
Mellitic Acid SCHEMBL28758936 0.55 CYP1A2 (0.47) CYP1A2TSHRTP53MEN1KMT2A
Mellitic Acid SCHEMBL28360695 0.55 CYP1A2 (0.47) CYP1A2TSHRTP53MEN1KMT2A
Bicarbonate SCHEMBL28029612 0.55
Bicarbonate SCHEMBL6478072 0.52 CA1 (1.00) TSHRTP53CA1CA2CA9
Bicarbonate SCHEMBL1179 0.52

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
WO-2015081408-A1 ELASTOMERIC COMPOSITION WITH BARRIER PROPERTY, METHOD FOR PREPARING AND USING SAME, AND PNEUMATIC ARTICLE BRASKEM S.A. (BR) 2015-06-11 WO claimed
US-20090280928-A1 GOLF BALL WITH HEAT RESISTANT LAYER ACUSHNET COMPANY 2009-11-12 US claimed
EP-3741455-B1 PROCESS AND APPARATUS FOR POLYMERIZING ETHYLENE UNDER ULTRA-HIGH PRESSURE WESTLAKE LONGVIEW CORP (US) 2024-03-20 EP disclosed
WO-2015081408-A1 ELASTOMERIC COMPOSITION WITH BARRIER PROPERTY, METHOD FOR PREPARING AND USING SAME, AND PNEUMATIC ARTICLE BRASKEM S.A. (BR) 2015-06-11 WO disclosed
WO-2014053037-A1 NON-EXPANDED ELASTOMER COMPOSITION BASED ON ETHYLENE-VINYL ACETATE COPOLYMER, AND USE THEREOF FOR MANUFACTURING FOOTWEAR BRASKEM S.A. (BR) 2014-04-10 WO disclosed