SCHEMBL21060658

SCHEMBL21060658

CCCCCCCCCCCCC/C=C/C(O)C(COP(=O)(O)O)NC(C)=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 6/20 0.79
▸ TP53 P04637 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ S1PR4 O95977 2/20 0.64
▸ S1PR1 P21453 2/20 0.64
▸ S1PR3 Q99500 2/20 0.64
▸ S1PR5 Q9H228 2/20 0.64
▸ S1PR2 O95136 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ TSPO P30536 1/20 0.64
▸ TMEM97 Q5BJF2 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ SGPL1 O95470 4/20 0.59
▸ LPAR1 Q92633 5/20 0.54
▸ LPAR3 Q9UBY5 3/20 0.54

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
SCHEMBL30073256 1.00 PLA2G4A (0.79) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL3765894 1.00 PLA2G4A (0.79) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL13393777 0.92 PLA2G4A (0.67) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL16085651 0.89 PLA2G4A (0.66) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL12451633 0.88 PLA2G4A (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL31620245 0.88 PLA2G4A (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL30649214 0.88 PLA2G4A (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL31620248 0.88 PLA2G4A (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL31620246 0.88 PLA2G4A (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL14090319 0.88 PLA2G4A (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5

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
EP-3805761-A1 COMPOSITION FOR DIAGNOSING DISEASES ASSOCIATED WITH COX2 OVEREXPRESSION AND SCREENING METHOD THEREFOR Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2021-04-14 — — EP disclosed
US-20190183910-A1 ENHANCING DNA REPAIR AND PREVENTING AGING AND ITS CONSEQUENCES IN REPRODUCTIVE AND OTHER CELLS OKTAY, KUTLUK (US) 2019-06-20 — — US disclosed
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