SCHEMBL5049575

SCHEMBL5049575

NC1(N)CC(c2ccc(O)cc2C#Cc2ccccc2)=CC=C1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4D Q08499 2/20 0.32
GRM5 P41594 2/20 0.32
ALOX5 P09917 1/20 0.31
APP P05067 1/20 0.31
ESR2 Q92731 1/20 0.31
CA12 O43570 2/20 0.30

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
SCHEMBL949300 0.77 APP (0.48) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6514043 0.71 ALOX5 (0.48) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL949266 0.70 APP (0.48) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL716896 0.67 HNF4A (0.49) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6539105 0.66 SMN1; SMN2 (0.39) NPC1KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL5231283 0.62 MAPT (0.55) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL4267409 0.61 APP (0.60) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL20211704 0.61 APP (0.60) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL11682818 0.61 MAPT (0.59) NPC1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5667774 0.60 TTR (0.49) NPC1MEN1MAPTCYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044664-A1 Laminated Body and Semiconductor Drive JSR CORPORATION (JP) 2008-02-21 US disclosed
EP-1760774-A1 LAMINATED BODY AND SEMICONDUCTOR DEVICE JSR Corporation (JP) 2007-03-07 EP disclosed