SCHEMBL13865618

SCHEMBL13865618

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13865565 0.92 PPARD (0.35) FAAHMAPTNPC1LMNACYP1A2
SCHEMBL13865609 0.89 MAPT (0.39) MAPTNPC1LMNACYP1A2CYP3A4
SCHEMBL13806731 0.89 MAPT (0.37) FAAHMAPTNPC1LMNACYP1A2
SCHEMBL13865604 0.89 MAPT (0.35) FAAHMAPTNPC1LMNACYP1A2
SCHEMBL13865598 0.88 LMNA (0.44) MAPTNPC1LMNACYP1A2CYP3A4
SCHEMBL13865607 0.88 LMNA (0.44) MAPTNPC1LMNACYP1A2CYP3A4
SCHEMBL13865603 0.86 MAPT (0.35) MAPTNPC1LMNACYP1A2CYP3A4
SCHEMBL13865576 0.86 NPC1 (0.42) MAPTNPC1LMNACYP1A2CYP3A4
SCHEMBL13865620 0.86 NPC1 (0.38) MAPTNPC1LMNACYP1A2CYP3A4
SCHEMBL13718916 0.85 THRB (0.44) FAAHMAPTNPC1LMNACYP1A2

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