SCHEMBL9577880

SCHEMBL9577880

COc1ccc(C(C)C(=O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
PTGS1 P23219 2/20 0.53
TSHR P16473 2/20 0.53
CDC42 P60953 1/20 0.53
RAC1 P63000 1/20 0.53
CYP1A2 P05177 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
PPARG P37231 1/20 0.50
GPR88 Q9GZN0 1/20 0.50
RAB9A P51151 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
APP P05067 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL11667723 0.84 AKR1C3 (0.77) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL350067 0.84 PTGS2 (0.71) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL2370631 0.84 PTGS2 (0.71) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL599316 0.84 PTGS2 (0.71) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL9690291 0.83 RAB9A (0.51) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL28662721 0.82 PTGS2 (0.69) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL8834311 0.82 MEN1 (0.54) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL9577268 0.81 MAPT (0.55) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL10443247 0.81 PTGS1 (0.54) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL10757243 0.81 CA1 (0.48) PTGS2AKR1C3AKR1C2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed