SCHEMBL7944526

SCHEMBL7944526

Cc1cc(C)cc(CCn2c3cccc(OCC(=O)O)c3c3c(C(N)=O)cccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.49
PLA2G1B P04054 8/20 0.49
PLA2G10 O15496 5/20 0.49
PLA2G5 P39877 4/20 0.49
PLA2G2E Q9NZK7 4/20 0.49
PLA2G2F Q9BZM2 2/20 0.46
PLA2G2D Q9UNK4 2/20 0.46
PLA2G6 O60733 1/20 0.46
PLA2G2C Q5R387 1/20 0.46
PLA2G12B Q9BX93 1/20 0.46
PLA2G12A Q9BZM1 1/20 0.46
PLA2G3 Q9NZ20 1/20 0.46

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
SCHEMBL30410934 1.00 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL819564 0.91 PLA2G2A (0.55) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6776872 0.88 PLA2G2A (0.55) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL817486 0.85 PLA2G2A (0.57) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL29029768 0.85 PTGS2 (0.40) PLA2G2A
SCHEMBL6692598 0.84 PLA2G2A (0.48) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6688806 0.84 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6688799 0.84 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL8063373 0.84 PLA2G2A (0.51) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6781718 0.83 PLA2G2A (0.53) 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 4 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
CN-107249578-B Method for treating envenomation and related pharmaceutical composition, system and kit 奥菲瑞克斯股份有限公司 2021-01-26 CN disclosed
WO-2001066111-A1 COMPOSITIONS CONTAINING POTENTIAL SPLA2 INHIBITORS FOR THE TREATMENT OF PAIN ELI LILLY AND COMPANY (US) 2001-09-13 WO disclosed