SCHEMBL9863442

SCHEMBL9863442

CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CCN(C)C)C(C)=O)NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 9/20 0.56
PLA2G2A P14555 1/20 0.41
TLR2 O60603 1/20 0.37
DNM1 Q05193 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
Iodide SCHEMBL9863345 0.86 PLA2G2C (0.53) PLA2G2C
SCHEMBL9863415 0.81 ADRA1D (0.44) DNM1
SCHEMBL9863482 0.81 PLA2G2C (0.57) PLA2G2CTLR2DNM1
Hydrochloric Acid SCHEMBL9863634 0.80 DNM1 (0.36) PLA2G2CDNM1
SCHEMBL8977978 0.79 PLA2G2C (0.73) PLA2G2CPLA2G2ATLR2
SCHEMBL8004862 0.75 PLA2G2C (0.52) PLA2G2CDNM1
SCHEMBL8013540 0.75 PLA2G2C (0.52) PLA2G2CDNM1
SCHEMBL10807147 0.75 PLA2G2C (0.56) PLA2G2CPLA2G2A
SCHEMBL10809319 0.75 PLA2G2C (0.56) PLA2G2CPLA2G2A
SCHEMBL9863457 0.74 TLR2 (0.42) TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed