SCHEMBL8914496

SCHEMBL8914496

C=CCOc1ccc(C(=O)Oc2ccccc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CHRNB2 P17787 4/20 0.44
CHRNB4 P30926 4/20 0.44
CHRNA3 P32297 4/20 0.44
CHRNA4 P43681 4/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
MAPK14 Q16539 3/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
BLM P54132 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
FFAR1 O14842 2/20 0.40

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
SCHEMBL8024089 0.83 LIG1 (0.42) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL29023341 0.81 RXRA (0.48) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL2831629 0.80 MAPT (0.49) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL2364296 0.80 MAPT (0.49) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL6394828 0.80 ALDH1A1 (0.42) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL8723330 0.79 THRB (0.45) NPC1RAB9ALPAR1LPAR5MAPK14
SCHEMBL8727994 0.79 THRB (0.45) NPC1RAB9ALPAR1LPAR5MAPK14
Cyanide SCHEMBL30294043 0.79 RXRA (0.46) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL8026485 0.79 ALDH1A1 (0.43) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL11514420 0.79 NPC1 (0.65) NPC1RAB9ALPAR1LPAR5ADRB2

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-5601884-A COMPRISING A LIQUID CRYSTAL OLIGOMER; HEAT RESISTANCE, CHEMICAL RESISTANCE; STABILITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-11 US disclosed
EP-0678567-A1 Retardation film and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-25 EP disclosed