SCHEMBL9803370

SCHEMBL9803370

CCCCOc1ccc(-c2ccc(OC(=O)C(Cl)C(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.50
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
TSHR P16473 1/20 0.45
CYP19A1 P11511 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
ACACB O00763 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
SCHEMBL9802899 0.97 RARB (0.55) RARBNPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL9802862 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL9802873 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL9803457 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL9802973 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL9803335 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL10898542 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL9803381 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL9803745 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1
SCHEMBL9802950 0.96 RARB (0.57) RARBLMNATSHRSMN1; SMN2NPC1

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