SCHEMBL11304595

SCHEMBL11304595

CCCCCCCCCCCCCCCCOCC(COCc1cccc(C#N)c1)OCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.46
PLA2G10 O15496 5/20 0.46
PLA2G1B P04054 4/20 0.46
PLA2G5 P39877 4/20 0.46
LPAR1 Q92633 4/20 0.40
LPAR3 Q9UBY5 4/20 0.40
LPAR2 Q9HBW0 1/20 0.40
FFAR1 O14842 1/20 0.40
TLR2 O60603 3/20 0.39
PLA2G4B P0C869 1/20 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
SCHEMBL11298010 0.93 FFAR1 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL30515123 0.86 FFAR1 (0.41) FFAR1TLR2PLA2G4B
SCHEMBL25336782 0.83 LPAR3 (0.56) LPAR1LPAR3LPAR2FFAR1
SCHEMBL25336781 0.83 LPAR3 (0.56) LPAR1LPAR3LPAR2FFAR1
SCHEMBL30515139 0.82 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5FFAR1
SCHEMBL31069864 0.82 FFAR1 (0.38) PLA2G2APLA2G10PLA2G1BPLA2G5FFAR1
SCHEMBL11302035 0.81 PLA2G2A (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL11304533 0.81 PLA2G2A (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL25078776 0.81 PLA2G10 (0.55) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL2411920 0.81 PLA2G10 (0.55) 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 4 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
US-4173641-A ANTITUMOR PFIZER INC. (US) 1979-11-06 US disclosed