SCHEMBL13865609

SCHEMBL13865609

C=CC(=O)OCC(COCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOCC(COC(=O)C=C)OC(=O)C=C)cc3)c(C)c2)cc1)OC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.33
PLA2G4B P0C869 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL13865576 0.97 NPC1 (0.42) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL17933632 0.94 NPC1 (0.37) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL20089572 0.94 MAPT (0.36) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL18904664 0.92 NPC1 (0.35) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL13865616 0.91 MAPT (0.36) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL13865610 0.91 PPARD (0.36) MAPTKMT2ALMNAPPARDL3MBTL1
SCHEMBL17935775 0.90 PLA2G4B (0.37) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL13865618 0.89 FAAH (0.36) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL13806722 0.89 MAPT (0.39) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL13865598 0.88 LMNA (0.44) MAPTKMT2ANPC1LMNACYP1A2

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-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed