SCHEMBL9330686

SCHEMBL9330686

COC(OC(=O)c1ccc(C(C)=O)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9271627 0.87 ESR1 (0.66) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL9328549 0.84 PDCD1 (0.47) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL9329219 0.84 PDCD1 (0.47) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL9329641 0.84 PDCD1 (0.44) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL9329232 0.80 PDCD1 (0.53) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL1030015 0.79 ALDH1A1 (0.53) KMT2AALDH1A1GAATSHRHPGD
SCHEMBL828657 0.79 TSHR (0.61) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL6924039 0.79 MAPT (0.50) MAPTNPC1RAB9AKMT2APOLB
SCHEMBL986067 0.77 KMT2A (0.48) KMT2AALDH1A1GAAL3MBTL1TSHR
SCHEMBL286685 0.77 KMT2A (0.48) KMT2AALDH1A1GAAL3MBTL1TSHR

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