SCHEMBL9802899

SCHEMBL9802899

CCCCCOc1ccc(-c2ccc(OC(=O)C(Cl)C(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.55
NPC1 O15118 3/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PLA2G4B P0C869 1/20 0.47
PPARG P37231 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PPARA Q07869 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9802873 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9802862 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9803381 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9803457 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9803745 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9803335 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL10898542 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9802973 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9802956 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR
SCHEMBL9803180 0.99 RARB (0.57) RARBNPC1LMNATP53TSHR

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