SCHEMBL11299159

SCHEMBL11299159

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OCc1cccc(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PLA2G2A P14555 4/20 0.41
TLR2 O60603 8/20 0.40
LPAR1 Q92633 4/20 0.39
LPAR3 Q9UBY5 4/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL11304533 0.92 PLA2G2A (0.48) PLA2G2ATLR2LPAR1LPAR3PLA2G10
SCHEMBL11302035 0.92 PLA2G2A (0.48) PLA2G2ATLR2LPAR1LPAR3PLA2G10
Hydrochloric Acid SCHEMBL11308092 0.91 PLA2G2A (0.47) PLA2G2ATLR2LPAR1LPAR3PLA2G10
SCHEMBL10604671 0.83 PLA2G10 (0.47) PLA2G2ATLR2LPAR1LPAR3PLA2G10
SCHEMBL18641859 0.83 PLA2G10 (0.47) PLA2G2ATLR2LPAR1LPAR3PLA2G10
SCHEMBL10605748 0.83 PLA2G10 (0.47) PLA2G2ATLR2LPAR1LPAR3PLA2G10
SCHEMBL10604578 0.83 PLA2G10 (0.47) PLA2G2ATLR2LPAR1LPAR3PLA2G10
SCHEMBL11301693 0.81 TSHR (0.44) PLA2G2ATSHR
SCHEMBL11298010 0.81 FFAR1 (0.41) PLA2G2ALPAR1LPAR3PLA2G10PLA2G1B
SCHEMBL11300306 0.80 TLR2 (0.49) TLR2

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