SCHEMBL16625017

SCHEMBL16625017

COC(=O)[C@H](CSSc1nc2ccccc2s1)NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.51
MAPT P10636 2/20 0.48
CYP26A1 O43174 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
MC5R P33032 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
CCR2 P41597 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDK1 Q15118 1/20 0.46

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
SCHEMBL16625019 0.91 TACR3 (0.43) FBP1MAPTCYP26A1ALDH1A1HPGD
SCHEMBL16625024 0.90 FBP1 (0.54) FBP1MAPTALDH1A1HPGDALOX15
SCHEMBL16625021 0.89 FBP1 (0.49) FBP1MAPTCYP26A1ALDH1A1HPGD
SCHEMBL16627245 0.88 ALDH1A1 (0.45) FBP1MAPTALDH1A1HPGDHSD17B10
SCHEMBL16625026 0.88 CYP26A1 (0.48) FBP1MAPTCYP26A1ALDH1A1HPGD
SCHEMBL16627194 0.82 L3MBTL1 (0.50) FBP1MAPTALDH1A1HPGDALOX15
SCHEMBL23700602 0.77 ALDH1A1 (0.45) FBP1MAPTALDH1A1HPGDALOX15
SCHEMBL11824494 0.76 FBP1 (0.65) FBP1MAPTALDH1A1HPGDALOX15
SCHEMBL16625023 0.75 CTRB1 (0.50) ALDH1A1TSHRKMT2A
SCHEMBL8081009 0.74 FBP1 (0.66) FBP1MAPTALDH1A1HPGDALOX15

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
US-9453844-B2 Detection of protein S-sulfhydration via a tag-switch technique WASHINGTON STATE UNIVERSITY (US) 2016-09-27 US disclosed
US-9453844-B2 Detection of protein S-sulfhydration via a tag-switch technique WASHINGTON STATE UNIVERSITY (US) 2016-09-27 US disclosed
US-20150099305-A1 DETECTION OF PROTEIN S-SULFHYDRATION VIA A TAG-SWITCH TECHNIQUE NATIONAL SCIENCE FOUNDATION 2015-04-09 US disclosed
US-20150099305-A1 DETECTION OF PROTEIN S-SULFHYDRATION VIA A TAG-SWITCH TECHNIQUE NATIONAL SCIENCE FOUNDATION 2015-04-09 US disclosed