SCHEMBL9514941

SCHEMBL9514941

CCCCCCCCOc1ccc(-c2ccc(OC[C@H](C)OCCCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.57
PLA2G4B P0C869 2/20 0.52
NR5A1 Q13285 1/20 0.51
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 1/20 0.50
PLA2G2A P14555 6/20 0.49
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLA2G10 O15496 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
SCHEMBL9514215 1.00 RARB (0.57) RARBPLA2G4BNR5A1TP53CYP3A4
SCHEMBL9515020 1.00 RARB (0.57) RARBPLA2G4BNR5A1TP53CYP3A4
SCHEMBL9514210 1.00 RARB (0.57) RARBPLA2G4BNR5A1TP53CYP3A4
SCHEMBL9515419 1.00 RARB (0.57) RARBPLA2G4BNR5A1TP53CYP3A4
SCHEMBL9512019 1.00 RARB (0.57) RARBPLA2G4BNR5A1TP53CYP3A4
SCHEMBL9514964 1.00 RARB (0.57) RARBPLA2G4BNR5A1TP53CYP3A4
SCHEMBL9512501 0.92 RARB (0.52) RARBPLA2G4BNR5A1TP53CYP3A4
SCHEMBL9471651 0.91 NR5A1 (0.62) RARBPLA2G4BNR5A1TP53TSHR
SCHEMBL9512657 0.90 MEN1 (0.49) RARBPLA2G4BCYP3A4TSHRPLA2G2A
SCHEMBL9512636 0.90 MEN1 (0.49) RARBPLA2G4BCYP3A4TSHRPLA2G2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63192734-A None JP disclosed
EP-0277815-B1 Optically active-2-alkoxy-propyl ether and liquid crystal composition CHISSO CORP (JP) 1993-11-24 EP disclosed
US-5021191-A Ferroelectricity display elements; extremely small redution in crystal temperature region CHISSO CORPORATION (JP) 1991-06-04 US disclosed
JP-S63192734-A OPTICALLY ACTIVE-2-ALKOXY-PROPYL ETHERS AND LIQUID CRYSTAL COMPOSITION CHISSO CORP 1988-08-10 JP disclosed