SCHEMBL688099

SCHEMBL688099

CCCCCCCCCCCCCCCc1cccc(Oc2ccc(N)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
MITF O75030 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
NLRP1 Q9C000 1/20 0.54
NOD2 Q9HC29 1/20 0.54
PPARA Q07869 5/20 0.53
PPARG P37231 4/20 0.53
CETP P11597 1/20 0.48
TSHR P16473 1/20 0.48
LPL P06858 1/20 0.47
LIPG Q9Y5X9 1/20 0.47

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
SCHEMBL28333197 0.93 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL28547948 0.89 PPARA (0.63) PPARAPPARGCETPLPLLIPG
SCHEMBL27830388 0.89 PPARA (0.63) PPARAPPARGCETPLPLLIPG
SCHEMBL176242 0.89 PPARA (0.63) PPARAPPARGCETPLPLLIPG
SCHEMBL9819438 0.89 PPARA (0.63) PPARAPPARGCETPLPLLIPG
SCHEMBL29693068 0.89 PPARA (0.63) PPARAPPARGCETPLPLLIPG
SCHEMBL23085167 0.88 PPARA (0.62) PPARAPPARGCETPLPLLIPG
SCHEMBL29959530 0.88 PPARA (0.62) PPARAPPARGCETPLPLLIPG
SCHEMBL8356790 0.88 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL10624215 0.88 PPARA (0.62) PPARAPPARGCETPLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
EP-2169016-A1 Phase change inks Xerox Corporation (US) 2010-03-31 EP disclosed