SCHEMBL11304559

SCHEMBL11304559

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OCCCNC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.56
LPAR3 Q9UBY5 4/20 0.56
TLR2 O60603 10/20 0.56
PLA2G2C Q5R387 3/20 0.52
LPAR2 Q9HBW0 1/20 0.52

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
SCHEMBL10819280 0.82 ACHE (0.55) LPAR1LPAR3TLR2LPAR2
SCHEMBL15158621 0.82 ACHE (0.55) LPAR1LPAR3TLR2LPAR2
SCHEMBL17431977 0.82 ACHE (0.59) LPAR1LPAR3TLR2
SCHEMBL15160079 0.82 ACHE (0.55) LPAR1LPAR3TLR2LPAR2
SCHEMBL23946005 0.82 KDM4E (0.61)
SCHEMBL18687261 0.82 MMP9 (0.57) TLR2PLA2G2C
SCHEMBL31119611 0.81 LPAR1 (0.59) LPAR1LPAR3TLR2PLA2G2CLPAR2
SCHEMBL19123781 0.81 ACHE (0.50) LPAR1LPAR3TLR2LPAR2
SCHEMBL10819285 0.81 ACHE (0.50) LPAR1LPAR3TLR2LPAR2
SCHEMBL22930181 0.81 ACHE (0.50) LPAR1LPAR3TLR2LPAR2

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