SCHEMBL5189141

SCHEMBL5189141

CC1(C)CCCC(CC2CCCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34
ATP1A3 P13637 2/20 0.34
ATP1B2 P14415 2/20 0.34
ATP1A2 P50993 2/20 0.34
ATP1B3 P54709 2/20 0.34
FXYD2 P54710 2/20 0.34
ATP1A4 Q13733 2/20 0.34
CYP1A2 P05177 1/20 0.32
SIGMAR1 Q99720 6/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL28346473 0.93 IDO1 (0.33) IDO1TDO2
SCHEMBL24075339 0.84
SCHEMBL11130247 0.77 CYP2D6 (0.33) CYP1A2SIGMAR1IDO1TDO2
SCHEMBL2474412 0.77 CYP2D6 (0.33) CYP1A2SIGMAR1IDO1TDO2
SCHEMBL16874265 0.76 NCF1 (0.33) IDO1TDO2
SCHEMBL21426647 0.76 IDO1 (0.32) IDO1TDO2
SCHEMBL721012 0.76 NCF1 (0.33) IDO1TDO2
SCHEMBL21859114 0.76 IDO1 (0.32) IDO1TDO2
SCHEMBL20348693 0.76 IDO1 (0.32) IDO1TDO2
SCHEMBL13742190 0.76 APLNR (0.36) IDO1TDO2

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
EP-1809683-A2 AMINES-EPOXY COMPOSITIONS WITH HIGH CHEMICAL RESISTANCE PROPERTIES Hexion Specialty Chemicals Research Belgium S.A. (BE) 2007-07-25 EP claimed
WO-2006045407-A2 AMINES-EPOXY COMPOSITIONS WITH HIGH CHEMICAL RESISTANCE PROPERTIES HEXION SPECIALTY CHEMICALS RESEARCH BELGIUM S.A. (BE) 2006-05-04 WO claimed
WO-2016098130-A1 EPOXY NOVOLAC COMPOSITES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-23 WO disclosed
WO-2013075805-A2 EPOXY COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS RESEARCH BEIGIUM S.A. (BE) 2013-05-30 WO disclosed