SCHEMBL13700451

SCHEMBL13700451

CC(C)(C)c1cc(CCO)cc(-n2nc3cc(Cl)c(Cl)cc3n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
GAA P10253 6/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
GSR P00390 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL30240899 0.88 NPC1 (0.37) ALDH1A1GAALMNATSHRHPGD
SCHEMBL77250 0.88 NPC1 (0.37) ALDH1A1GAALMNATSHRHPGD
SCHEMBL30240935 0.86 NPC1 (0.44) ALDH1A1GAALMNATSHRHPGD
SCHEMBL75075 0.86 NPC1 (0.44) ALDH1A1GAALMNATSHRHPGD
SCHEMBL13700456 0.83 HSPA5 (0.38) ALDH1A1GAALMNATSHRHPGD
SCHEMBL13700402 0.83 NPC1 (0.43) ALDH1A1LMNAHPGDPOLBNPC1
SCHEMBL4207567 0.81 NPC1 (0.36) ALDH1A1GAALMNATSHRHPGD
SCHEMBL2637886 0.81 ALDH1A1 (0.35) ALDH1A1GAALMNATSHRHPGD
SCHEMBL13700455 0.80 RARG (0.36) ALDH1A1GAALMNATSHRHPGD
SCHEMBL16690371 0.80 ALDH1A1 (0.36) ALDH1A1GAALMNATSHRHPGD

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
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