SCHEMBL14088558

SCHEMBL14088558

C=C(C(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C(=C)C(F)(F)F)cc3)cc2)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
MAPT P10636 5/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL14088560 0.96 POLB (0.52) LMNANPC1POLBCYP1A2CYP2C9
SCHEMBL21413224 0.93 HTT (0.58) LMNANPC1POLBCYP1A2CYP2C9
SCHEMBL21413226 0.90 LMNA (0.44) LMNANPC1POLBCYP1A2CYP2C9
SCHEMBL14088561 0.87 POLB (0.41) LMNANPC1POLBCYP1A2CYP2C9
SCHEMBL16746159 0.86 KMT2A (0.40) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL21413223 0.84 HTT (0.67) POLBAPEX1HTTTDP1TSHR
SCHEMBL14088567 0.83 POLB (0.41) LMNANPC1POLBCYP1A2CYP2C9
SCHEMBL14088566 0.83 HTT (0.46) LMNANPC1POLBCYP1A2CYP2C9
SCHEMBL14088599 0.83 HTT (0.45) LMNANPC1POLBCYP1A2CYP2C9
SCHEMBL11961765 0.82 POLB (0.68) LMNANPC1POLBCYP1A2CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410677-B2 Organosilicon compound-containing polymerizable liquid-crystal composition CHISSO CORPORATION (JP) 2008-08-12 US disclosed