SCHEMBL11345112

SCHEMBL11345112

COc1ccccc1CCOc1ccc(NC(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
HIF1A Q16665 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL11334586 0.82 MEN1 (0.48) CNR1HIF1ASMN1; SMN2MAPTNPC1
SCHEMBL11657415 0.79 PPARA (0.60) NPC1RAB9AMEN1KMT2APPARA
SCHEMBL15079417 0.78 MAPT (0.61) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL15079979 0.76 L3MBTL1 (0.56) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL9854725 0.76 TAAR1 (0.56) MAPTLMNAMTNR1AMTNR1B
SCHEMBL15079378 0.76 ALDH1A1 (0.55) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL11661120 0.75 RAB9A (0.48) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL7374583 0.75 L3MBTL1 (0.62) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL7374587 0.75 L3MBTL1 (0.70) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11134782 0.74 PPARA (0.55) CNR1SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4249938-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-10 US disclosed