SCHEMBL9328556

SCHEMBL9328556

CC(=O)c1ccc(-c2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.66
MAPT P10636 7/20 0.66
MEN1 O00255 5/20 0.66
NPSR1 Q6W5P4 2/20 0.66
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
ALDH1A1 P00352 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6398360 0.88 KMT2A (0.74) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL9331636 0.84 KMT2A (0.69) KMT2AMAPTMEN1MAOBALDH1A1
SCHEMBL9328678 0.83 KMT2A (0.56) KMT2AMAPTMEN1NPSR1MAOA
SCHEMBL14404822 0.83 MAPT (0.67) KMT2AMAPTMEN1NPSR1MAOA
SCHEMBL830094 0.82 KMT2A (0.82) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL9547816 0.82 MAOB (0.91) MAOAMAOBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9331015 0.82 KMT2A (0.55) KMT2AMAPTMEN1NPSR1MAOA
SCHEMBL3535153 0.80 MAPT (0.64) KMT2AMAPTMEN1MAOAMAOB
SCHEMBL2705832 0.79 KMT2A (0.76) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL2357688 0.79 KMT2A (0.76) KMT2AMAPTMEN1NPSR1ALDH1A1

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