SCHEMBL11298010

SCHEMBL11298010

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OCc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
PLA2G2A P14555 4/20 0.39
PLA2G10 O15496 3/20 0.39
PLA2G1B P04054 3/20 0.39
PLA2G5 P39877 3/20 0.39
GLA P06280 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
SCN8A Q9UQD0 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PLA2G4B P0C869 1/20 0.38
HTR6 P50406 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 4/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL30515123 0.93 FFAR1 (0.41) FFAR1GLAMRGPRX4SCN8ACNR1
SCHEMBL11304595 0.93 PLA2G2A (0.46) FFAR1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL25336781 0.89 LPAR3 (0.56) FFAR1GLALPAR1LPAR3LPAR2
SCHEMBL25336782 0.89 LPAR3 (0.56) FFAR1GLALPAR1LPAR3LPAR2
SCHEMBL30515139 0.89 PLA2G2A (0.43) FFAR1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL31069864 0.88 FFAR1 (0.38) FFAR1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL11299159 0.81 HTT (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL24304385 0.80 USP2 (0.42) CNR1CNR2LPAR1LPAR3LPAR2
SCHEMBL25337956 0.80 FFAR1 (0.41) FFAR1GLAMRGPRX4SCN8ACNR1
SCHEMBL10604578 0.80 PLA2G10 (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4262021-A INDUCERS OF PRODUCTION OF INTERFERON PFIZER INC. (US) 1981-04-14 US disclosed
US-4215146-A Antiviral amine derivatives of glycerol and propanediols PFIZER INC. (US) 1980-07-29 US disclosed
US-4193999-A Antiviral amine derivatives of propanediols PFIZER INC. (US) 1980-03-18 US disclosed