SCHEMBL14219302

SCHEMBL14219302

C=C(C)C(=O)NC1CCCC(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 1/20 0.41
EPHX1 P07099 8/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
BTK Q06187 1/20 0.34
HPGD P15428 1/20 0.33
CPB2 Q96IY4 1/20 0.33
TLR4 O00206 1/20 0.33
GAA P10253 1/20 0.33
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL730569 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL22677485 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL10305534 0.81 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL14543527 0.81 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL18474342 0.81 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL14098332 0.81 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL22418213 0.81 CA12 (0.35) EPHX1CA12CA9KDM4EALDH1A1
SCHEMBL6436067 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL23506579 0.79 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL585161 0.79 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMAPTEPHX1

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
EP-1573373-B1 OPTICAL COMPENSATING SHEET, PRODUCTION METHOD THEREOF, OPTICAL FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME FUJIFILM CORP (JP) 2008-04-16 EP disclosed