SCHEMBL6680447

SCHEMBL6680447

O=C(O)c1c(CC2CCCO2)ccc2c1Cc1ccccc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.41
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ACSL1 P33121 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37
ALOX12 P18054 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL7190861 0.88 KDM4E (0.37) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL1385613 0.86 HPGD (0.37) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL2313646 0.79 MAOA (0.46) KDM4EPKMHTTACSL1USP2
Potassium SCHEMBL4602990 0.77 MAOA (0.44) KDM4EPKMHTTACSL1USP2
SCHEMBL16563060 0.77 MAOA (0.44) KDM4EPKMHTTACSL1USP2
SCHEMBL4705461 0.76 MAOA (0.43) KDM4EPKMACSL1MAOAMAOB
SCHEMBL2804823 0.75 MAOA (0.42) ACSL1MAOAMAOB
SCHEMBL6679495 0.75 PTGS1 (0.44) ALDH1A1ACSL1SMN1; SMN2MAPTMAOA
SCHEMBL1672256 0.74 MAOA (0.47) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL5705630 0.74 MAOA (0.41) HPGDALDH1A1KDM4EPKMACSL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373238-B1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL SCIENT IND RES (IN) 2004-11-03 EP disclosed
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