SCHEMBL7755293

SCHEMBL7755293

CCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(CCCCOCC)C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.46
RARA P10276 1/20 0.46
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PTPN11 Q06124 1/20 0.38
PLA2G4B P0C869 1/20 0.37

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
SCHEMBL7754313 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL8004986 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL8664192 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL7756431 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL7755077 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL8162567 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL7755189 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL7755084 1.00 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL7750674 0.98 RARB (0.46) RARBRARANPC1LMNANFKB1
SCHEMBL7755266 0.98 RARB (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737733-B1 Liquid crystal compound having ferrielectric phase and liquid crystal composition MITSUBISHI GAS CHEMICAL CO (JP) 2001-02-21 EP disclosed
US-5728864-A AROMATIC DIESTERS FOR INJECTION BETWEEN SUBSTRATES FOR LIQUID CRYSTAL DISPLAYS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-17 US disclosed
EP-0737733-A1 Liquid crystal compound having ferrielectric phase and liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-10-16 EP disclosed