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
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