SCHEMBL18557

SCHEMBL18557

CC1CCCC(C)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.53
ACHE P22303 2/20 0.52
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
MAPT P10636 1/20 0.45
SLC18A2 Q05940 1/20 0.44
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL17055247 1.00 LTA4H (0.54) LTA4HALDH1A1GLAHPGDACHE
SCHEMBL11144165 0.92 ACHE (0.55) LTA4HALDH1A1GLAHPGDACHE
SCHEMBL10077401 0.92 ACHE (0.55) LTA4HALDH1A1GLAHPGDACHE
SCHEMBL24200042 0.86 LTA4H (0.47) LTA4HALDH1A1GLAHPGDACHE
SCHEMBL1488909 0.84 LTA4H (0.45) LTA4HALDH1A1GLAHPGDACHE
SCHEMBL20811168 0.83 CHRM2 (0.55) ALDH1A1ACHEPOLBTSHRCHRM2
SCHEMBL20797832 0.83 CHRM2 (0.55) ALDH1A1ACHEPOLBTSHRCHRM2
SCHEMBL16215682 0.82 ALDH1A1 (0.52) LTA4HALDH1A1ACHEPOLB
SCHEMBL13405849 0.82 ALDH1A1 (0.50) LTA4HALDH1A1HPGDACHEPOLB
SCHEMBL17533290 0.82 ALDH1A1 (0.44) LTA4HALDH1A1ACHEPOLBKDM4E

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
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed