SCHEMBL8933997

SCHEMBL8933997

c1ccc(CCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC18A3 Q16572 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.46
FFAR4 Q5NUL3 2/20 0.44
LTA4H P09960 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL11504130 0.88 LTA4H (0.56) SLC18A3LTA4HHAO1
SCHEMBL11405907 0.83 LTA4H (0.51) CYP3A4SLC18A3LTA4HHAO1
SCHEMBL7926837 0.82 GFER (0.54) SLC18A3PTGES2MAOAMAOB
SCHEMBL10091180 0.81 ESR2 (0.53) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL19198566 0.80 SLC18A3 (0.63) SIGMAR1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL42833 0.80 SLC18A3 (0.63) SIGMAR1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL447032 0.80 SLC18A3 (0.63) SIGMAR1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL19262690 0.80 SLC18A3 (0.63) SIGMAR1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL11562787 0.80 SLC18A3 (0.63) SIGMAR1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL790829 0.80 SLC18A3 (0.63) SIGMAR1CYP1A2CYP2D6TSHRCYP2C19

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-8040945-A None JP disclosed
JP-8040945-A None JP disclosed
JP-H0840945-A 1-(4-CYCLOHEXYLPHENYL)-2-PHENYLETHANE DERIVATIVE DAINIPPON INK & CHEM INC 1996-02-13 JP disclosed
JP-H0840945-A 1-(4-CYCLOHEXYLPHENYL)-2-PHENYLETHANE DERIVATIVE DAINIPPON INK & CHEM INC 1996-02-13 JP disclosed