SCHEMBL9747898

SCHEMBL9747898

CCCCCOC(CC)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
PPARG P37231 2/20 0.41
HTR2A P28223 1/20 0.41
CTSK P43235 1/20 0.40
IDO1 P14902 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39

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
SCHEMBL9176981 0.88 SIGMAR1 (0.45) KCNH2SIGMAR1PTGESALOX5PPARG
SCHEMBL6251205 0.81 CSNK1E (0.45) PLA2G10PLA2G2ACTSK
SCHEMBL292546 0.81 SIGMAR1 (0.41) KCNH2SIGMAR1PPARGIDO1
SCHEMBL18511763 0.81 PLA2G2A (0.54) KCNH2SIGMAR1PLA2G10PLA2G1BPLA2G2A
SCHEMBL18511748 0.81 PLA2G2A (0.54) KCNH2SIGMAR1PLA2G10PLA2G1BPLA2G2A
SCHEMBL18512611 0.81 PLA2G2A (0.54) KCNH2SIGMAR1PLA2G10PLA2G1BPLA2G2A
SCHEMBL18512633 0.81 PLA2G2A (0.54) KCNH2SIGMAR1PLA2G10PLA2G1BPLA2G2A
SCHEMBL18512617 0.81 PLA2G2A (0.54) KCNH2SIGMAR1PLA2G10PLA2G1BPLA2G2A
SCHEMBL5606109 0.79 PLA2G2A (0.50) PLA2G10PLA2G1BPLA2G2APLA2G5
SCHEMBL5605740 0.79 PLA2G2A (0.50) PLA2G10PLA2G1BPLA2G2APLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed