SCHEMBL12242511

SCHEMBL12242511

C=CC(=O)COc1ccc(C#Cc2ccc(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.38
THRB P10828 2/20 0.36
KMT2A Q03164 3/20 0.35
ACACB O00763 2/20 0.34
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PRKCA P17252 2/20 0.32

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
SCHEMBL12242534 0.94 FFAR1 (0.37) FFAR1THRBKMT2AACACBPRSS1
SCHEMBL13913494 0.94 THRB (0.40) THRBKMT2APRSS1ACRLMNA
SCHEMBL12733829 0.93 THRB (0.41) FFAR1THRBKMT2AACACBPRSS1
SCHEMBL12154262 0.91 THRB (0.38) THRBKMT2APRSS1ACRLMNA
SCHEMBL12154274 0.91 THRB (0.38) THRBKMT2APRSS1ACRLMNA
SCHEMBL12242522 0.90 FFAR1 (0.45) FFAR1THRBACACB
SCHEMBL12242480 0.90 FFAR1 (0.45) FFAR1THRBACACB
SCHEMBL12242532 0.89 FFAR1 (0.40) FFAR1THRBKMT2AACACBLMNA
SCHEMBL12242503 0.89 FFAR1 (0.40) FFAR1THRBKMT2AACACBLMNA
SCHEMBL16788456 0.88 THRB (0.40) THRBKMT2APRSS1ACRLMNA

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