SCHEMBL13699378

SCHEMBL13699378

Cc1cc(CCO)cc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.33
RIPK2 O43353 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2C9 P11712 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDE2A O00408 2/20 0.31

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
SCHEMBL13700413 0.91 PKM (0.38) PKMKDM4ELMNAMAPTNPC1
SCHEMBL2637886 0.86 ALDH1A1 (0.35) PKMKDM4EALDH1A1HPGDLMNA
SCHEMBL13700724 0.86 KDM4E (0.35) PKMKDM4EALDH1A1HPGDPOLB
SCHEMBL13700441 0.85 KDM4E (0.33) PKMKDM4EALDH1A1HPGDMAPT
SCHEMBL13700459 0.84 POLB (0.35) PKMKDM4EALDH1A1HPGDLMNA
SCHEMBL13699510 0.83 KDM4E (0.40) PKMKDM4EALDH1A1HPGDPOLB
SCHEMBL74479 0.82 NPC1 (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL30240966 0.82 NPC1 (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL13700429 0.82 NPC1 (0.42) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL2638145 0.82 KDM4E (0.40) PKMKDM4EALDH1A1HPGDLMNA

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-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 US disclosed
US-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed
EP-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed