SCHEMBL7872375

SCHEMBL7872375

C=CCN1CCCC1=O.CCCCCCCCCCCCN1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
ADRA1B P35368 5/20 0.40
PIK3CD O00329 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
ADRA1A P35348 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 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
SCHEMBL11038582 1.00 ALOX5 (0.43) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL8762227 1.00 ALOX5 (0.43) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL705126 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL37427 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL297935 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL6012088 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL297738 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL6575811 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL430004 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL
SCHEMBL297237 0.87 ALOX5 (0.53) ALOX5ADRA1BPIK3CDFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852492-B1 TRANSDERMAL MATRIX SYSTEM LHD LAB HYGIENE DIETETIQUE (FR) 2001-11-21 EP claimed
EP-0603418-B1 HERBICIDE COMPOSITION KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-06-18 EP claimed
EP-0311640-B1 HIGHER ALKYL PYRROLIDONE EXTRACTANTS FOR WATER SOLUBLE PHENOLIC OR CARBOXYLIC ANTIBIOTICS ISP INVESTMENTS INC. (US) 1993-04-07 EP claimed
EP-0095822-B1 HYDROGEN PEROXIDE PROCESS FMC Corporation (US) 1985-06-12 EP claimed
CN-1247754-C Surfactant compositions and methods of use thereof NOVAPHARMA RES AUSTRALIA PTY L (AU) 2006-03-29 CN disclosed
CN-1462307-A Surfactant system NOVAPHARMA RES AUSTRALIA PTY L (AU) 2003-12-17 CN disclosed
CN-1066611-C Herbicide composition KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-06 CN disclosed
CN-1081316-A Herbicidal composition KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-02-02 CN disclosed