SCHEMBL7780778

SCHEMBL7780778

CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(CC)CC)c(F)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.51
RARA P10276 1/20 0.51
NPC1 O15118 3/20 0.49
LMNA P02545 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
PLA2G4B P0C869 1/20 0.44
POLB P06746 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL7781305 1.00 RARB (0.51) RARBRARANPC1LMNANFKB1
SCHEMBL7780542 1.00 RARB (0.51) RARBRARANPC1LMNANFKB1
SCHEMBL7773772 1.00 RARB (0.51) RARBRARANPC1LMNANFKB1
SCHEMBL7773777 0.93 RARB (0.50) RARBRARANPC1LMNANFKB1
SCHEMBL7773794 0.93 RARB (0.50) RARBRARANPC1LMNANFKB1
SCHEMBL7781329 0.93 RARB (0.50) RARBRARANPC1LMNANFKB1
SCHEMBL7778296 0.93 RARB (0.50) RARBRARANPC1LMNANFKB1
SCHEMBL7780526 0.93 RARB (0.50) RARBRARANPC1LMNANFKB1
SCHEMBL9626747 0.91 RARB (0.49) RARBRARANPC1LMNANFKB1
SCHEMBL31672709 0.89 RARB (0.47) RARBRARANPC1LMNANFKB1

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
EP-0885876-B1 Swallow-tail-shaped liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-09-05 EP disclosed
EP-0885876-A1 Swallow-tail-shaped liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-12-23 EP disclosed