SCHEMBL9577287

SCHEMBL9577287

CC(C)(C(=O)C(=O)O)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.57
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
NR1H4 Q96RI1 3/20 0.49
EPHX2 P34913 2/20 0.49
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
NR4A2 P43354 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL9130779 0.83 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
SCHEMBL6673990 0.83 SRD5A2 (0.50) SRD5A2RARBRARGTSHRNR1H4
SCHEMBL6673061 0.81 TSHR (0.46) SRD5A2TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL20732295 0.81 ESR1 (0.50) TSHRALDH1A1KMT2ACA1CA2
SCHEMBL4376662 0.80 MAPT (0.61) ALDH1A1CYP1A2KMT2A
SCHEMBL3637376 0.79 KMT2A (0.67) SRD5A2RARBRARGTP53TSHR
SCHEMBL6671431 0.79 KMT2A (0.50) TSHRSMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL16877062 0.79 KMT2A (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL6673950 0.79 KMT2A (0.41) SRD5A2TSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL65824 0.78 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR

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