SCHEMBL9330680

SCHEMBL9330680

COc1ccccc1COC(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
KMT2A Q03164 8/20 0.55
MAPT P10636 6/20 0.55
MEN1 O00255 4/20 0.55
TSHR P16473 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 2/20 0.53
MAPK1 P28482 3/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.50
MAPK10 P53779 1/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL9271624 0.89 LMNA (0.57) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL6667180 0.89 PPARG (0.58) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL9328542 0.83 KMT2A (0.46) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL9329214 0.82 KMT2A (0.46) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL2087592 0.82 MAOB (0.68) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL9329639 0.82 KMT2A (0.43) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL9329226 0.81 MAOB (0.68) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL1030014 0.80 IDO1 (0.56) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL28101447 0.80 MEN1 (0.55) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL4735009 0.79 TYR (0.56) ALDH1A1KMT2AMEN1TSHRKDM4E

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