SCHEMBL9756566

SCHEMBL9756566

CCCCCCCCOC(=O)c1ccc(-c2ccc(CC(C)OCCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
STS P08842 6/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
ESR1 P03372 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
RARB P10826 7/20 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
SCHEMBL17737151 0.83 ALDH1A1 (0.68) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL9784771 0.83 ALDH1A1 (0.76) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL11759929 0.83 ALDH1A1 (0.76) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL8716755 0.82 RARB (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3262567 0.81 ALDH1A1 (0.73) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL9396989 0.81 NPC1 (0.59) MAPTNPC1LMNACYP1A2TSHR
SCHEMBL17737160 0.80 MAPT (0.64) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL8148623 0.80 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2RARB
SCHEMBL11037712 0.80 RARB (0.66) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL11039096 0.80 RARB (0.66) MAPTALDH1A1NPC1RAB9ASTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3068529-A None JP disclosed
JP-H0368529-A OPTICALLY ACTIVE BIPHENYL DERIVATIVE, PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION CONTAINING SAME DERIVATIVE AS ACTIVE INGREDIENT AND LIQUID CRYSTAL ELEMENT USING SAME COMPOSITION SUMITOMO CHEM CO LTD 1991-03-25 JP disclosed