SCHEMBL28067618

SCHEMBL28067618

CCN(CC)c1cccc(C(=O)c2ccccc2)c1.O=C(c1ccccc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
HPGD P15428 6/20 0.55
TSHR P16473 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
TP53 P04637 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 1/20 0.55
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
PRKDC P78527 1/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 8/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
STAT1 P42224 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL14982107 0.85 MAPT (0.64) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL610585 0.82 L3MBTL1 (0.57) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL50238 0.81 SMN1; SMN2 (0.74) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL12757173 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HPGDTSHRNPC1RAB9A
Ether SCHEMBL27901382 0.79 ALDH1A1 (0.59) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL25206262 0.78 ALDH1A1 (0.51) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL2742811 0.78 ALDH1A1 (0.58) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL1662811 0.77 MAPT (0.66) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL14982111 0.77 NPC1 (0.60) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL14982101 0.76 NPC1 (0.76) SMN1; SMN2HPGDTSHRNPC1RAB9A

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
CN-103443189-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2016-09-07 CN disclosed