SCHEMBL7064997

SCHEMBL7064997

CC(C)c1ccc(SCCOCCSc2ccc(C(C)C)cc2C(C)C)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
PTGS2 P35354 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
FABP3 P05413 1/20 0.30

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
SCHEMBL7064225 0.77 GABRA1 (0.37) GABRA1GABRB2KDM4ECYP1A2CYP2D6
SCHEMBL7064222 0.76 GABRA1 (0.36) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL7063034 0.75 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4MAPK1
SCHEMBL7063441 0.75 ALOX12 (0.34) LMNAGAAHTTALDH1A1ALOX12
SCHEMBL23901710 0.73 ALDH1A1 (0.33) LMNAGAAHTTALDH1A1ALOX12
SCHEMBL12248238 0.72 ALOX12 (0.41) LMNAGAAHTTALDH1A1ALOX12
SCHEMBL7064235 0.71 ALDH1A1 (0.32) LMNAGAAHTTALDH1A1ALOX12
SCHEMBL9440673 0.71 ALOX12 (0.39) LMNAGAAHTTALDH1A1ALOX12
SCHEMBL7064224 0.70 ALDH1A1 (0.31) GAAHTTALDH1A1ALOX12HIF1A
SCHEMBL23901712 0.69 ALDH1A1 (0.38) LMNAGAAHTTALDH1A1ALOX12

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-20030216246-A1 Transition metal complexes containing sulfur ligands, and polylefin production processes using them COOK JESSICA A (US) 2003-11-20 US disclosed
EP-1328558-A2 TRANSITION METAL COMPLEXES CONTAINING SULFUR LIGANDS, AND POLYOLEFIN PRODUCTION PROCESSES USING THEM UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-07-23 EP disclosed
WO-2002032967-A2 TRANSITION METAL COMPLEXES CONTAINING SULFUR LIGANDS, AND POLYOLEFIN PRODUCTION PROCESSES USING THEM UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-04-25 WO disclosed