SCHEMBL29029784

SCHEMBL29029784

CC(=O)Oc1cccc2c1c1c(C(N)=O)cccc1n2Cc1cccc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 17/20 0.40
MAPK8 P45983 1/20 0.39
PLA2G1B P04054 3/20 0.38
PTGS2 P35354 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
PLA2G2E Q9NZK7 1/20 0.37
F10 P00742 1/20 0.36

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
SCHEMBL27844984 0.88 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL29029772 0.85 ADRA1D (0.45) PLA2G2AMAPK8PLA2G1B
SCHEMBL29029778 0.85 ATM (0.43) MAPK8PLA2G1B
SCHEMBL30410494 0.84 PLA2G2A (0.54) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL817940 0.84 PLA2G2A (0.54) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL29029764 0.83 FEN1 (0.43)
SCHEMBL6688540 0.82 F10 (0.46) PLA2G2AMAPK8PLA2G1BPLA2G10F10
SCHEMBL29029776 0.81 MEN1 (0.41) PLA2G2AMAPK8PLA2G1BPLA2G10PLA2G5
SCHEMBL30411505 0.81 MAPK8 (0.42) PLA2G2AMAPK8PLA2G1BPLA2G10F10
SCHEMBL29029762 0.81 MAPK8 (0.42) PLA2G2AMAPK8PLA2G1BPLA2G10F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116585306-A PLA2 inhibitors for immediate treatment of hymenoptera toxicity and other conditions due to histamine release 奥菲瑞克斯股份有限公司 2023-08-15 CN disclosed
CN-109562098-B PLA2 inhibitors for immediate treatment of hymenoptera toxicity and other conditions due to histamine release 奥菲瑞克斯股份有限公司 2023-04-21 CN disclosed