SCHEMBL12242532

SCHEMBL12242532

C=CC(=O)COc1ccc(C#Cc2ccc(C#Cc3ccc(C(=O)OCOC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.40
THRB P10828 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
GAA P10253 1/20 0.36
ACACB O00763 2/20 0.36
PRKCA P17252 2/20 0.36
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AOC3 Q16853 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL12242503 1.00 FFAR1 (0.40) FFAR1THRBADRB2ADRB1ADRB3
SCHEMBL12242534 0.95 FFAR1 (0.37) FFAR1THRBADRB2ADRB1ADRB3
SCHEMBL12242505 0.91 FFAR1 (0.36) FFAR1THRBADRB2ADRB1ADRB3
SCHEMBL12242511 0.89 FFAR1 (0.38) FFAR1THRBADRB2ADRB1ADRB3
SCHEMBL12242522 0.88 FFAR1 (0.45) FFAR1THRBGAAACACBRAB9A
SCHEMBL12242480 0.88 FFAR1 (0.45) FFAR1THRBGAAACACBRAB9A
SCHEMBL12242548 0.88 THRB (0.38) FFAR1THRBADRB2ADRB1ACACB
SCHEMBL12242493 0.85 FFAR1 (0.42) FFAR1THRBACACBMAPTNPC1
SCHEMBL12242509 0.83 FFAR1 (0.39) FFAR1THRBNPC1RAB9AMEN1
SCHEMBL13913494 0.82 THRB (0.40) THRBGAAMAPTNPC1RAB9A

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-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
US-20110253936-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed