SCHEMBL29862801

SCHEMBL29862801

CCCCCCCCc1cc2c(cc1OCCCP(=O)(O)O)c1c(n2Cc2ccccc2)CCCC1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 12/20 0.47
HTR6 P50406 3/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL818607 1.00 PLA2G2A (0.47) PLA2G2AHTR6PSEN1PSEN2APH1B
Water SCHEMBL6979476 0.99 PLA2G2A (0.48) PLA2G2AHTR6PSEN1PSEN2APH1B
SCHEMBL29862401 0.92 PLA2G2A (0.53) PLA2G2AHTR6
SCHEMBL818313 0.92 PLA2G2A (0.53) PLA2G2AHTR6
SCHEMBL6699396 0.85 PLA2G2A (0.48) PLA2G2AHTR6
SCHEMBL6695314 0.84 HTR6 (0.41) PLA2G2AHTR6
SCHEMBL819058 0.82 PLA2G2A (0.61) PLA2G2AHTR6
SCHEMBL819415 0.82 PLA2G2A (0.51) PLA2G2AHTR6
SCHEMBL29862597 0.82 PLA2G2A (0.51) PLA2G2AHTR6
SCHEMBL29862369 0.82 PLA2G2A (0.51) PLA2G2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448378-B1 PLA2 AND HMG-COA INHIBITORS FOR TREATMENT OF PATHOLOGICAL CONDITIONS CAUSING HEMOLYSIS, CEREBRAL EDEMA, AND ACUTE KIDNEY INJURY OPHIREX INC (US) 2024-04-17 EP disclosed
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-115379836-A Early management and prevention of sepsis and sepsis-like syndrome 奥菲瑞克斯公司 2022-11-22 CN disclosed
EP-4045026-A1 EARLY MANAGEMENT AND PREVENTION OF SEPSIS AND SEPSIS-LIKE SYNDROMES Ophirex, Inc. (US) 2022-08-24 EP disclosed