SCHEMBL1703554

SCHEMBL1703554

CCOC(=O)C1C=CNCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 4/20 0.37
PKM P14618 1/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 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
SCHEMBL294808 0.82 MAPT (0.38) ALDH1A1MAPTPKMPPM1BPTPN1
SCHEMBL9430085 0.82 ALDH1A1 (0.37) ALDH1A1USP2ALOX15TDP1MAPT
SCHEMBL1490750 0.73
SCHEMBL7330352 0.73
SCHEMBL1200456 0.73 ALDH1A1 (0.50) ALDH1A1USP2ALOX15TDP1MAPT
SCHEMBL11688026 0.73 PPM1B (0.46) ALDH1A1USP2ALOX15TDP1MAPT
SCHEMBL14514261 0.73 ALDH1A1 (0.50) ALDH1A1USP2ALOX15TDP1MAPT
SCHEMBL27612602 0.72 MAPT (0.43) ALDH1A1MAPTPKMPPM1BPTPN1
SCHEMBL2158524 0.72 USP2 (0.32) ALDH1A1USP2ALOX15TDP1PKM
SCHEMBL20562897 0.71 PPM1B (0.38) ALDH1A1USP2ALOX15TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444102-A Fused tetracyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2021-09-28 CN disclosed
CN-111433206-A Compound (I) 葛兰素史克知识产权开发有限公司 2020-07-17 CN disclosed
EP-2440530-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES Dow AgroSciences LLC (US) 2012-04-18 EP disclosed
EP-2440526-A1 3-HALO-6-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2012-04-18 EP disclosed
WO-2010144380-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES DOW AGROSCIENCES LLC (US) 2010-12-16 WO disclosed
WO-2010144379-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-12-16 WO disclosed
CN-101370776-A 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARM INC (US) 2009-02-18 CN disclosed