SCHEMBL11089990

SCHEMBL11089990

N=C(N)N1CCCC(CCCC(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.47
CPB2 Q96IY4 2/20 0.47
TPSAB1 Q15661 5/20 0.46
TPSD1 Q9BZJ3 5/20 0.46
TPSG1 Q9NRR2 5/20 0.46
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
EED O75530 4/20 0.40
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
F2 P00734 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
Hydrochloric Acid SCHEMBL11078994 0.99 CPN1 (0.46) CPN1CPB2TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL11081827 0.90 CPN1 (0.48) CPN1CPB2TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL11080946 0.80 ITGB3 (0.51) CPN1CPB2TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL11085752 0.78 EED (0.48) TPSAB1TPSD1TPSG1EEDIL2RA
SCHEMBL24295482 0.78 EED (0.47) CPN1CPB2TPSAB1TPSD1TPSG1
SCHEMBL26727341 0.76 SMN1; SMN2 (0.46) ITGB3ITGA2B
SCHEMBL28626485 0.75 MEN1 (0.49)
SCHEMBL1542957 0.75 F2 (0.48) CPN1CPB2TPSAB1TPSD1TPSG1
SCHEMBL8578826 0.74 EED (0.47) CPN1CPB2EEDF2
SCHEMBL9060473 0.74 EED (0.47) CPN1CPB2EEDF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US disclosed