SCHEMBL11064967

SCHEMBL11064967

CCC(N)CCCCCCCCC(N)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ S1PR2 O95136 5/20 0.41
▸ S1PR1 P21453 5/20 0.41
▸ S1PR3 Q99500 5/20 0.41
▸ S1PR4 O95977 4/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ SPHK1 Q9NYA1 2/20 0.39
▸ CYP2D6 P10635 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 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
SCHEMBL7049167 1.00 PLA2G1B (0.46) PLA2G1BPLA2G2AALDH1A1S1PR2S1PR1
SCHEMBL27540086 1.00 PLA2G1B (0.46) PLA2G1BPLA2G2AALDH1A1S1PR2S1PR1
SCHEMBL16236123 1.00 PLA2G1B (0.46) PLA2G1BPLA2G2AALDH1A1S1PR2S1PR1
SCHEMBL929270 1.00 PLA2G1B (0.46) PLA2G1BPLA2G2AALDH1A1S1PR2S1PR1
SCHEMBL23155063 0.97 OPRM1 (0.43) PLA2G1BPLA2G2AALDH1A1S1PR2S1PR1
SCHEMBL16240876 0.97 OPRM1 (0.43) PLA2G1BPLA2G2AALDH1A1S1PR2S1PR1
SCHEMBL8439924 0.93 ALDH1A1 (0.43) PLA2G1BPLA2G2AALDH1A1S1PR2S1PR1
SCHEMBL2223744 0.91 PLA2G1B (0.58) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
SCHEMBL4804084 0.91 PLA2G1B (0.58) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
SCHEMBL37552 0.91 PLA2G1B (0.58) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3

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
US-4427435-A Use of iodoacetamide and amines for the control of harmful organisms, and agents for such control CIBA-GEIGY CORPORATION (US) 1984-01-24 — — US disclosed
EP-0000331-B1 METHOD OF MASS-DYEING LINEAR POLYAMIDES USING DYESALTS FROM 1:2 CHROMIUM COMPLEXES OF MONOAZODYES; THE FIBRES OBTAINED THEREFROM CIBA-GEIGY AG (CH) 1983-12-28 — — EP disclosed
EP-0017611-B1 METHOD OF COMBATING PESTS AND MEANS THEREFOR CIBA-GEIGY AG (CH) 1982-06-23 — — EP disclosed
US-4304590-A WATER TREATMENT CIBA-GEIGY CORPORATION (US) 1981-12-08 — — US disclosed
US-4263197-A AMINE SALTS OF CHROMIUM COMPLEXES OF MONOAZO DYES CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
US-4258177-A DICYCLOHEXYLDIAMINES, AND AROMATIC DICARBOXYLIC ACIDS CIBA-GEIGY CORPORATION (US) 1981-03-24 — — US disclosed
EP-0017611-A1 Method of combating pests and means therefor CIBA-GEIGY AG (CH) 1980-10-15 — — EP disclosed
EP-0000331-A1 Method of mass-dyeing linear polyamides using dyesalts from 1:2 chromium complexes of monoazodyes; the fibres obtained therefrom CIBA-GEIGY AG (CH) 1979-01-24 — — EP disclosed
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