SCHEMBL9863891

SCHEMBL9863891

CCCCCCCCCCCCCCCCCCOCC(CO)NC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 9/20 0.77
USP2 O75604 1/20 0.53
PLA2G2A P14555 4/20 0.52
CES2 O00748 1/20 0.47
TLR2 O60603 2/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL17309228 0.86 PLA2G2C (0.57) PLA2G2CUSP2PLA2G2ACES2HTT
SCHEMBL8977978 0.84 PLA2G2C (0.73) PLA2G2CPLA2G2ACES2TLR2
SCHEMBL19079076 0.84 PLA2G2C (0.58) PLA2G2CUSP2
SCHEMBL16350166 0.81 PLA2G2C (0.58) PLA2G2C
SCHEMBL24339846 0.80 USP2 (0.59) PLA2G2CUSP2HTT
SCHEMBL24339807 0.80 USP2 (0.59) PLA2G2CUSP2HTT
SCHEMBL10701026 0.78 USP2 (0.58) PLA2G2CUSP2HTT
SCHEMBL24340432 0.78 PRSS1 (0.49) PLA2G2C
SCHEMBL24340434 0.78 PRSS1 (0.49) PLA2G2C
SCHEMBL17817572 0.78 PLA2G2C (0.58) PLA2G2CPLA2G2A

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
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
US-4640913-A Phosphocholine derivatives having antihypertensive action AMERICAN CYANAMID COMPANY (US) 1987-02-03 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed