SCHEMBL3994037

SCHEMBL3994037

CCCCOC(C=C=O)Oc1ccc(OC(=O)c2ccc(-c3ccc(OCCCCCCCCCCC(OCC)OCC)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ NFKB1 P19838 3/20 0.45
▸ NFKB2 Q00653 3/20 0.45
▸ RELA Q04206 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ RARB P10826 5/20 0.43
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PLA2G4B P0C869 1/20 0.38

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
SCHEMBL3994032 0.82 NPC1 (0.47) LMNANPC1NFKB1NFKB2RELA
SCHEMBL3989964 0.81 KCNH2 (0.52) LMNANPC1NFKB1NFKB2RELA
SCHEMBL3993124 0.81 LMNA (0.49) LMNANPC1NFKB1NFKB2RELA
SCHEMBL3998839 0.77 KCNH2 (0.56) RARBMAPT
SCHEMBL29350004 0.76 NPC1 (0.59) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9513551 0.76 NPC1 (0.59) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9450565 0.75 SMN1; SMN2 (0.58) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9450554 0.75 SMN1; SMN2 (0.58) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9450563 0.75 SMN1; SMN2 (0.58) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9450559 0.75 SMN1; SMN2 (0.58) LMNANPC1NFKB1NFKB2RELA

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-7575788-B2 functionation of polyvinyl alcohol with 4'-(11,11-diethoxy-undecyloxy)-biphenyl-4-carbonitrile (side-chain precursor) and octanal; sandwiching a liquid crystal layer between two substrates, one of which have above polymer, arranged so that said surface-director alignment layer facing liquid crystal layer ECSIBEO PPF2 AB (SE) 2009-08-18 — — US disclosed
US-20070088125-A1 Polymers for use as alignment layers in liquid crystal devices ECSIBEO PPF2 AB (SE) 2007-04-19 — — US disclosed
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