SCHEMBL5401212

SCHEMBL5401212

Fc1ccccc1C#Cc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
HPGD P15428 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GRM5 P41594 5/20 0.53
FFAR1 O14842 5/20 0.46
FFAR4 Q5NUL3 4/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL8424794 0.98 APP (0.57) APPMAPTNPC1MEN1ALDH1A1
Cyclohexane SCHEMBL28575545 0.91 NPC1 (0.50) APPMAPTNPC1MEN1ALDH1A1
SCHEMBL9305673 0.89 GRM5 (0.51) APPMAPTNPC1MEN1ALDH1A1
SCHEMBL29251289 0.85 GRM5 (0.52) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL24230192 0.83 GRM5 (0.44) APPMAPTNPC1MEN1ALDH1A1
SCHEMBL24229992 0.83 SLC16A3 (0.54) NPC1GRM5FFAR1FFAR4RAB9A
SCHEMBL30048230 0.83 SLC16A3 (0.54) NPC1GRM5FFAR1FFAR4RAB9A
Charcoal, Activated SCHEMBL31286314 0.83 GRM5 (0.50) MAPTNPC1MEN1ALDH1A1CYP1A2
Fluoride SCHEMBL31286347 0.83 GRM5 (0.50) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL5706298 0.83 NPC1 (0.50) APPMAPTNPC1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307137-B2 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. (US) 2007-12-11 US disclosed
EP-1373358-A4 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INT INC (US) 2005-03-16 EP disclosed
US-20040247896-A1 Organic compositions HONEYWELL INTERNATIONAL INC. 2004-12-09 US disclosed
EP-1461370-A1 ORGANIC COMPOSITIONS Honeywell International Inc. (US) 2004-09-29 EP disclosed
US-20040158024-A1 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. 2004-08-12 US disclosed
EP-1373358-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF Honeywell International, Inc. (US) 2004-01-02 EP disclosed
WO-2003057749-A1 ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-07-17 WO disclosed
WO-2002081546-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INTERNATIONAL INC. (US) 2002-10-17 WO disclosed