SCHEMBL11541103

SCHEMBL11541103

CCCCCCCCCCOCC(COCCCCCCCCCC)OCc1cccc(C2CO2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.41
PLA2G2A P14555 5/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PLA2G10 O15496 2/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
HTR1A P08908 5/20 0.35
DRD2 P14416 5/20 0.35
DRD1 P21728 5/20 0.35
DRD4 P21917 5/20 0.35
DRD5 P21918 5/20 0.35
DRD3 P35462 5/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL11306972 1.00 TLR2 (0.41) TLR2PLA2G2AALDH1A1TDP1PLA2G10
SCHEMBL11301728 0.93 PLA2G2A (0.44) TLR2PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL11299159 0.78 HTT (0.41) TLR2PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL10604671 0.77 PLA2G10 (0.47) TLR2PLA2G2ATDP1PLA2G10PLA2G1B
SCHEMBL10604578 0.77 PLA2G10 (0.47) TLR2PLA2G2ATDP1PLA2G10PLA2G1B
SCHEMBL10605748 0.77 PLA2G10 (0.47) TLR2PLA2G2ATDP1PLA2G10PLA2G1B
SCHEMBL18641859 0.77 PLA2G10 (0.47) TLR2PLA2G2ATDP1PLA2G10PLA2G1B
SCHEMBL5271487 0.76 SPHK2 (0.52) DRD2
SCHEMBL11298010 0.75 FFAR1 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL6813695 0.74 PLA2G10 (0.50) TLR2PLA2G2ATDP1PLA2G10PLA2G1B

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
US-4173641-A ANTITUMOR PFIZER INC. (US) 1979-11-06 US disclosed