SCHEMBL7190861

SCHEMBL7190861

O=C(OCOC(=O)c1c(CC2CCCO2)ccc2c1Cc1ccccc1O2)c1c(CC2CCCO2)ccc2c1Cc1ccccc1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.35
CASP1 P29466 4/20 0.35
HSD17B10 Q99714 4/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP7 P55210 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
ACSL1 P33121 1/20 0.35
NSD2 O96028 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6680447 0.88 HPGD (0.41) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL7189428 0.76 MAOA (0.36) MAPTMAPK1MEN1KMT2AACSL1
SCHEMBL1385613 0.75 HPGD (0.37) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL9849719 0.71 P2RX4 (0.39) ALDH1A1MEN1KMT2ATSHR
SCHEMBL1386991 0.70 MAOA (0.36) ALDH1A1MAPTMAPK1POLBACSL1
SCHEMBL9849817 0.69 P2RX4 (0.37) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL9849845 0.68 P2RX4 (0.43) ALDH1A1MAPK1POLBKMT2ATSHR
SCHEMBL9849388 0.67 TDP1 (0.39) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL2313646 0.67 MAOA (0.46) KDM4EPOLBMEN1USP2KMT2A
SCHEMBL9869895 0.66 TRPA1 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583175-B2 Used as insect growth regulatory for pest management in agricultural fields no or less environmental impact COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-06-24 US disclosed