SCHEMBL9329280

SCHEMBL9329280

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA7 P43166 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
XDH P47989 1/20 0.46
RAB9A P51151 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL27406638 1.00 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL31541700 0.83 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL31541673 0.83 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL9331609 0.83 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL9328620 0.83 PDCD1 (0.51) CA1CA2CA12CA9CA14
SCHEMBL9329056 0.81 KMT2A (0.48) CA1CA2CA12CA9CA14
SCHEMBL14967205 0.80 CA1 (0.52) CA1CA2CA12CA9CA14
SCHEMBL84424 0.79 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL9329641 0.79 PDCD1 (0.44) CA1CA2CA12CA9CA14
SCHEMBL17789904 0.79 TDP1 (0.55) CA1CA2CA12CA9CA14

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