SCHEMBL8056522

SCHEMBL8056522

CCN(CC)CCCNC(=O)/C(=C\C=C\c1cc2ccccc2o1)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 1/20 0.54
OPRM1 P35372 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ACKR3 P25106 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
PLIN1 O60240 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8056516 1.00 ATP6V1B1 (0.54) ATP6V1B1OPRM1TMEM97SIGMAR1ACKR3
SCHEMBL8056525 1.00 ATP6V1B1 (0.54) ATP6V1B1OPRM1TMEM97SIGMAR1ACKR3
SCHEMBL8053300 0.88 ATP6V1B1 (0.56) ATP6V1B1KMT2AGAAAPPALDH1A1
SCHEMBL8053296 0.88 ATP6V1B1 (0.56) ATP6V1B1KMT2AGAAAPPALDH1A1
SCHEMBL8053293 0.88 ATP6V1B1 (0.56) ATP6V1B1KMT2AGAAAPPALDH1A1
SCHEMBL6291678 0.78 ATP6V1B1 (0.75) ATP6V1B1ACKR3MEN1CYP2D6KMT2A
SCHEMBL6291675 0.78 ATP6V1B1 (0.75) ATP6V1B1ACKR3MEN1CYP2D6KMT2A
SCHEMBL6291679 0.78 ATP6V1B1 (0.75) ATP6V1B1ACKR3MEN1CYP2D6KMT2A
SCHEMBL8038803 0.77 MAPT (0.47) ATP6V1B1MEN1KMT2AGAAAPP
SCHEMBL8038808 0.77 MAPT (0.47) ATP6V1B1MEN1KMT2AGAAAPP

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-6025390-A Heteroaromatic pentadienoic acid derivatives useful as inhibitors of bone resorption SMITHKLINE BEECHAM SPA (IT) 2000-02-15 US disclosed