SCHEMBL13975673

SCHEMBL13975673

CCCCS(=N)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PSIP1 O75475 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MMP1 P03956 3/20 0.42
MMP7 P09237 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
ACE P12821 2/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 1/20 0.41
ESR1 P03372 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
NR1I2 O75469 1/20 0.40
HTR6 P50406 1/20 0.39
HSD11B1 P28845 1/20 0.39
ABCB1 P08183 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3635347 0.81 PSIP1 (0.58) TDP1PSIP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL777886 0.79 PSIP1 (0.64) TDP1PSIP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL13975647 0.78 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL9412381 0.76 TDP1 (0.50) TDP1PSIP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL836205 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HSD11B1L3MBTL1
SCHEMBL24807649 0.75 HTR6 (0.42) TDP1PSIP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31461328 0.75 SMN1; SMN2 (0.44) TDP1PSIP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL22610176 0.74 MAPK1 (0.49) PSIP1ALDH1A1TLR7NR1I2HTR6
SCHEMBL15810251 0.74 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MMP1MMP7MMP12
SCHEMBL835303 0.74 MAPK1 (0.36) TDP1PSIP1ALDH1A1HTR6HSD11B1

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
US-9273158-B2 Methods for production of hydrocarbons and oxygen-containing hyrdrocarbons THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-01 US disclosed
US-9273158-B2 Methods for production of hydrocarbons and oxygen-containing hyrdrocarbons THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-01 US disclosed
US-20140200318-A1 Methods for Production of Hydrocarbons and Oxygen-Containing Hyrdrocarbons THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-07-17 US disclosed
US-20140200318-A1 Methods for Production of Hydrocarbons and Oxygen-Containing Hyrdrocarbons THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-07-17 US disclosed
WO-2012158833-A2 METHODS FOR PRODUCTION OF HYDROCARBONS AND OXYGEN-CONTAINING HYDROCARBONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO disclosed