SCHEMBL9329235

SCHEMBL9329235

CCC(C)C(=O)OC(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
PLA2G4B P0C869 1/20 0.41
ANPEP P15144 1/20 0.40
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HCAR3 P49019 1/20 0.38
GRIA4 P48058 1/20 0.38
SRD5A2 P31213 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL9329240 1.00 MAPT (0.50) MAPTRXRARXRBKMT2AALDH1A1
SCHEMBL9329707 0.95 MAPT (0.47) MAPTRXRARXRBGRIA4SRD5A2
SCHEMBL9329701 0.95 MAPT (0.47) MAPTRXRARXRBGRIA4SRD5A2
SCHEMBL14258829 0.90 HCAR2 (0.40) MAPTKMT2AALDH1A1HTTTSHR
SCHEMBL872787 0.85 HCAR2 (0.51) MAPTKMT2AALDH1A1TP53HCAR2
SCHEMBL9547865 0.83 ESR1 (0.46) MAPTALDH1A1TSHRCA1CA2
SCHEMBL9547863 0.83 ESR1 (0.46) MAPTALDH1A1TSHRCA1CA2
SCHEMBL2740694 0.83 ACHE (0.41) KMT2AALDH1A1HCAR2SMN1; SMN2
SCHEMBL2740659 0.83 MAPT (0.50) MAPTHCAR2SMN1; SMN2
SCHEMBL13704203 0.82 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MAPK1TSHR

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
US-5332675-A Liquid crystals SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-07-26 US disclosed
EP-0289307-B1 OPTICALLY ACTIVE AROMATIC CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
US-5019298-A Optically active aromatic carboxylic acid derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-28 US disclosed
EP-0289307-A2 Optically active aromatic carboxylic acid derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-02 EP disclosed