SCHEMBL6446235

SCHEMBL6446235

[C]1=C(C2=CCCCC2)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.33
TYMP P19971 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMB1 P20618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACMSD Q8TDX5 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL13858383 0.98 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL4796621 0.98 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL7402470 0.98 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL3082501 0.98 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL3796622 0.98 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL4425323 0.96 TYMP (0.30) TYMP
SCHEMBL5808874 0.96 ALDH1A1 (0.35) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL5960582 0.94
SCHEMBL604265 0.89 TYMP (0.31) TYMP
SCHEMBL9815606 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142858-B1 PROCESS FOR PRODUCING ALIPHATIC ALDEHYDIC ACID AND/OR ALIPHATIC DICARBOXYLIC ACID MITSUBISHI CHEM CORP (JP) 2005-03-09 EP disclosed
US-6632964-B2 Catalytic oxidation of a cyclic ketone MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-14 US disclosed
US-20020004609-A1 Process for production of aliphatic aldehyde-acid and/or aliphatic dicarboxylic acid and catalyst for the production MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-10 US disclosed
EP-1142858-A1 PROCESS FOR PRODUCING ALIPHATIC ALDEHYDIC ACID AND/OR ALIPHATIC DICARBOXYLIC ACID AND CATALYST FOR THE PRODUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 2001-10-10 EP disclosed
US-4191732-A Method of removing sulfur dioxide from gases PHILLIPS PETROLEUM COMPANY (US) 1980-03-04 US disclosed