SCHEMBL9803392

SCHEMBL9803392

CCCCCCCCCCOc1ccc(-c2ccc(OC(=O)C(F)CC(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.54
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G4B P0C869 1/20 0.47
NR5A1 Q13285 1/20 0.46
FAAH O00519 6/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PLA2G4A P47712 1/20 0.44

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
SCHEMBL9802853 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9802879 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9803559 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9802909 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9803366 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9803431 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9803397 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9803253 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9803542 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA
SCHEMBL9803332 1.00 RARB (0.54) RARBTP53TSHRNPC1LMNA

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-0159872-B1 SMECTIC LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITIONS AJINOMOTO CO., INC. (JP) 1991-03-06 EP disclosed
US-4592858-A HIGH SPEED FERROELECTRIC SWITCHES AJINOMOTO COMPANY, INC. (JP) 1986-06-03 US disclosed
EP-0159872-A2 Smectic liquid crystal compound and liquid crystal compositions AJINOMOTO CO., INC. (JP) 1985-10-30 EP disclosed