SCHEMBL27749433

SCHEMBL27749433

C1=C(C2=CCCCCC2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACMSD Q8TDX5 2/20 0.37
ELANE P08246 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
KDM1A O60341 1/20 0.36
PSMB5 P28074 5/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PTGS2 P35354 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5960583 1.00 TYMP (0.39) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL119773 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL3502363 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL3796623 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL2105114 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL3233362 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL11201526 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL18244171 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL3233355 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL21057468 0.97 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101500554-B Sulfonamide compound or salt thereof ASTELLAS PHARMA INC 2012-06-27 CN disclosed
CN-101500554-A Sulfonamide compound or salt thereof ASTELLAS PHARMA INC (JP) 2009-08-05 CN disclosed