SCHEMBL7985121

SCHEMBL7985121

C=CCCCCNc1ccc(C(=O)OCC)c(N(CCCC)C(=O)COc2ccc(OC)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
SIRT5 Q9NXA8 1/20 0.36
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 6/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL6581237 0.97 USP2 (0.40) CNR1CNR2SIRT5USP2HSD17B10
SCHEMBL7998601 0.93 TSHR (0.39) USP2HSD17B10MAPTMEN1CYP1A2
SCHEMBL6581222 0.86 LMNA (0.36) CNR1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL6579279 0.82 LMNA (0.35) CNR1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL6577376 0.82 LMNA (0.33) CNR1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6579046 0.82 LMNA (0.35) CNR1HSD17B10MAPTCYP1A2CYP3A4
SCHEMBL6581167 0.82 LMNA (0.35) CNR1HSD17B10MAPTCYP1A2CYP3A4
SCHEMBL6581930 0.81 MAPT (0.39) CNR1CNR2SIRT5MAPTMEN1
SCHEMBL6582259 0.80 TRPV1 (0.35) MAOB
SCHEMBL6582265 0.80 TRPV1 (0.35) MAOB

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-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed