SCHEMBL6424792

SCHEMBL6424792

O=C(O)OC(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
ACP3 P15309 4/20 0.44
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CDC25B P30305 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6424790 0.89 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL5933632 0.84 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL5932136 0.82 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL20083856 0.80 KMT2A (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL17681440 0.80 MEN1 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A
SCHEMBL599730 0.79 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL5932090 0.78 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL19491212 0.78 ALOX5 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL5932886 0.78 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL20083910 0.78 KMT2A (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD

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
EP-1193284-B1 Heat-sensitive adhesive material,method of preparing same and method of using same RICOH KK (JP) 2005-03-23 EP disclosed
US-6828017-B2 Thermoplastic resin, a solid plasticizer, and a supercooling improving agent; non-adhesive at ambient temperature but becomes and remains adhesive upon and after being thermally activated. RICOH COMPANY, LTD. (JP) 2004-12-07 US disclosed
US-20020064613-A1 Heat-sensitive adhesive material, method of preparing same and method of using same RICOH COMPANY, LTD. 2002-05-30 US disclosed
EP-1193284-A1 Heat-sensitive adhesive material,method of preparing same and method of using same Ricoh Company (JP) 2002-04-03 EP disclosed