SCHEMBL9802873

SCHEMBL9802873

CCCCCCCCCCCCOc1ccc(-c2ccc(OC(=O)C(Cl)C(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.57
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PLA2G4B P0C869 1/20 0.49
PPARG P37231 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
PPARA Q07869 1/20 0.48
NR5A1 Q13285 1/20 0.48
FAAH O00519 5/20 0.47

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
SCHEMBL9802950 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9802956 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9803457 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9803335 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9803381 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9802973 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9802862 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9803745 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL10898542 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2
SCHEMBL9803180 1.00 RARB (0.57) RARBTP53TSHRNFKB1NFKB2

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