SCHEMBL9196353

SCHEMBL9196353

C=CCOc1ccc(C(=O)Oc2ccc(OCCCCCC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
LMNA P02545 3/20 0.66
NFKB1 P19838 3/20 0.66
NFKB2 Q00653 3/20 0.66
RELA Q04206 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PRSS1 P07477 1/20 0.56
ACR P10323 1/20 0.56
PLA2G4B P0C869 5/20 0.56
KMT2A Q03164 2/20 0.55
RARB P10826 3/20 0.53

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
SCHEMBL8962712 0.96 LMNA (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8922419 0.93 NPC1 (0.55) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8850790 0.91 LMNA (0.53) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9878891 0.90 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9879238 0.90 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9879201 0.90 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9879041 0.90 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9878779 0.90 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9878053 0.90 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9878488 0.90 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471277-B1 Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEM RES (JP) 1995-11-15 EP disclosed
US-5329034-A Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-07-12 US disclosed
EP-0293870-B1 METHOD FOR ELECTRIC FIELD ORIENTATION OF LIQUID CRYSTAL POLYMERS AND ORIENTED MATERIALS OF LIQUID CRYSTAL POLYMERS OBTAINED BY THE METHOD KURARAY CO., LTD. (JP) 1992-09-02 EP disclosed
EP-0471277-A2 Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-02-19 EP disclosed
US-4983318-A Method for electric field orientation of liquid crystal polymers and oriented materials of liquid crystal polymers obtained by the method KURARAY CO., LTD. (JP) 1991-01-08 US disclosed
EP-0293870-A1 Method for electric field orientation of liquid crystal polymers and oriented materials of liquid crystal polymers obtained by the method KURARAY CO., LTD. (JP) 1988-12-07 EP disclosed
US-4358391-A BRANCHED POLYSILOXANES WACKER-CHEMIE GMBH (DE) 1982-11-09 US disclosed