SCHEMBL398544

SCHEMBL398544

C=C(Cc1cccc(NS(=O)(=O)CC)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
PARP1 P09874 1/20 0.44
FABP4 P15090 1/20 0.42
AR P10275 1/20 0.42
CYP3A4 P08684 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL398666 0.87 ALDH1A1 (0.50) FABP4CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL398078 0.82 HPGD (0.57) HPGDLMNAARHTTSMN1; SMN2
SCHEMBL27220771 0.82 ADRA2A (0.51) ADRA2AADRA1AHPGDLMNAPARP1
SCHEMBL396887 0.82 HTR6 (0.62) HPGDALDH1A1HTR6
SCHEMBL396993 0.81 ALDH1A1 (0.58) ARALDH1A1HTR6
SCHEMBL8458647 0.77 ADRA2A (0.57) ADRA2AADRA1AHPGDLMNAPARP1
SCHEMBL396990 0.77 HTR6 (0.59) ALDH1A1HTR6
SCHEMBL3423556 0.77 CTBP2 (0.44)
SCHEMBL3554342 0.75 LMNA (0.51) ADRA2AADRA1AHPGDLMNAHTR6
SCHEMBL10750303 0.74 PTPN1 (0.52) ADRA2AADRA1AHPGDLMNAPARP1

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
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed