SCHEMBL9329080

SCHEMBL9329080

CCOC(=O)c1ccc(-c2ccc(C(C)OC(C)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FDFT1 P37268 1/20 0.45
HPGD P15428 5/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL10603445 0.85 NPC1 (0.53) ESR1CYP1A2LMNACYP3A4HPGD
SCHEMBL9329587 0.82 KMT2A (0.55) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL9468191 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9328530 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL30158515 0.81 RAB9A (0.49) CA12CA1CA2CA7CA9
SCHEMBL16351874 0.80 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1965326 0.80 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL10523863 0.80 LMNA (0.46) CA12CA1CA2CA7CA9
SCHEMBL9331015 0.80 KMT2A (0.55) CYP1A2LMNACYP3A4MAOAMEN1
SCHEMBL9329291 0.80 HSD17B10 (0.54) CA12CA1CA2CA9CA14

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