SCHEMBL104000

SCHEMBL104000

C=C(C)c1ccc(OCOc2ccc(OC(=O)c3ccc(C(=C)C)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.46
PRSS1 P07477 3/20 0.46
ACR P10323 2/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MEN1 O00255 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL12227202 0.89 HSD17B10 (0.53) KMT2AMAPTPRSS1ACRLMNA
SCHEMBL10040438 0.86 PRSS1 (0.58) KMT2AMAPTPRSS1ACRLMNA
SCHEMBL12227199 0.86 L3MBTL1 (0.45) MAPTPRSS1LMNAPARP10L3MBTL1
SCHEMBL13664636 0.84 POLB (0.51) KMT2AMAPTPRSS1ACRLMNA
SCHEMBL12932014 0.84 PRSS1 (0.59) KMT2APRSS1ACRLMNANPC1
SCHEMBL11346279 0.83 PARP10 (0.64) KMT2AMAPTPRSS1ACRSMN1; SMN2
SCHEMBL11986102 0.83 POLB (0.52) KMT2AMAPTPRSS1ACRLMNA
SCHEMBL12242713 0.83 POLB (0.52) KMT2AMAPTPRSS1ACRLMNA
SCHEMBL13289773 0.81 POLB (0.48) KMT2AMAPTPRSS1ACRLMNA
SCHEMBL5684695 0.81 PARP10 (0.56) KMT2AMAPTPRSS1ACRSMN1; SMN2

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-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed