SCHEMBL14530122

SCHEMBL14530122

C=C(C(N)=O)c1c(C)[nH]c2cccc(OCC(=O)OC(C)(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PLA2G2A P14555 9/20 0.35
▸ PLA2G1B P04054 5/20 0.35
▸ PLA2G10 O15496 2/20 0.35
▸ PLA2G5 P39877 2/20 0.35
▸ PLA2G2E Q9NZK7 1/20 0.35
▸ POLB P06746 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL13484713 0.89 PLA2G2A (0.42) DDB1CRBNMAPTALDH1A1PLA2G2A
SCHEMBL13485088 0.74 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL14531086 0.73 ADRB2 (0.41) DDB1CRBNMAPTALDH1A1PLA2G2A
SCHEMBL14531285 0.72 PLA2G2A (0.47) MAPTALDH1A1PLA2G2APLA2G1BPLA2G10
SCHEMBL14339077 0.71 GRK6 (0.48) MAPTALDH1A1PLA2G2APLA2G1BPLA2G10
SCHEMBL14530129 0.70 PLA2G2A (0.44) MAPTALDH1A1PLA2G2APLA2G1BPLA2G10
SCHEMBL4702556 0.69 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL13484854 0.69 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL13484837 0.69 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL13484847 0.69 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E

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
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 — — WO disclosed
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