SCHEMBL6915646

SCHEMBL6915646

O=C1C=CC=C1c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
HSD17B3 P37058 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 2/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
GRM5 P41594 2/20 0.38
CYP1A2 P05177 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
FFAR1 O14842 4/20 0.37
NPC1 O15118 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL27626616 0.82 MAOA (0.56) HSD17B3MAOAMAOBMAPTKDM4E
SCHEMBL4191740 0.81 APP (0.50) APPMAPTCA12CA2CA9
SCHEMBL10525293 0.73 MAOA (0.50) HSD17B3MAOAMAOBMAPTKDM4E
SCHEMBL27999658 0.73 HSD17B3 (0.52) HSD17B3MAOAMAOBMAPTCA12
SCHEMBL1879526 0.72 MAOA (0.48) HSD17B3MAOAMAOBMAPTKDM4E
SCHEMBL6238618 0.71 CYP2D6 (0.38) HSD17B3MAOAMAOBMAPTCYP2C9
SCHEMBL28352043 0.71 MGAM (0.44) HSD17B3MAPTCA12CA2CA9
SCHEMBL28701270 0.71 MAPT (0.35) HSD17B3MAOAMAOBMAPTNPC1
SCHEMBL5949303 0.71 APP (0.75) APPMAPTCA12CA2CA9
SCHEMBL28703418 0.70 ESR1 (0.47) HSD17B3MAOAMAOBMAPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898882-B Coating comprising polymer layer, optical film and display device 罗门哈斯电子材料有限责任公司 2022-10-28 CN disclosed
CN-112898882-A Refractive index adjustable polymer 罗门哈斯电子材料有限责任公司 2021-06-04 CN disclosed
CN-112198220-A Gas sensor and method of sensing gas phase analytes 罗门哈斯电子材料有限责任公司 2021-01-08 CN disclosed
EP-1476416-A2 MULTIFUNCTIONAL MONOMERS AND THEIR USE IN MAKING CROSS-LINKED POLYMERS AND POROUS FILMS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-11-17 EP disclosed
WO-2003068825-A2 MULTIFUNCTIONAL MONOMERS AND THEIR USE IN MAKING CROSS-LINKED POLYMERS AND POROUS FILMS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-08-21 WO disclosed