SCHEMBL13992148

SCHEMBL13992148

Cc1cc(CCS(=O)(=O)O)c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACP1 P24666 1/20 0.30

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
SCHEMBL17281024 0.89 HTT (0.39) HTTGAAALDH1A1NPSR1TSHR
SCHEMBL17790493 0.88 HTT (0.38) HTTGAAALDH1A1NPSR1TSHR
SCHEMBL15440601 0.86 LTB4R (0.37) HTTGAAALDH1A1NPSR1TSHR
SCHEMBL13937546 0.81 HTT (0.39) HTTGAAALDH1A1NPSR1TSHR
SCHEMBL17790467 0.75 LOX (0.40) HTTGAAALDH1A1NPSR1TSHR
SCHEMBL2040850 0.74 ALDH1A1 (0.32) HTTGAAALDH1A1
SCHEMBL16252173 0.73 RELA (0.42) HTTALDH1A1NPSR1TSHRRECQL
SCHEMBL13145536 0.72 NPSR1 (0.57) NPSR1SMN1; SMN2
SCHEMBL12440735 0.71 NOS3 (0.32) HTTALDH1A1NPSR1
SCHEMBL8519478 0.70 GSK3B (0.33) ALDH1A1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150192555-A1 Methods and Devices for Analytical Sensing of Biogenic Amines UNIVERSITY OF SOUTH CAROLINA 2015-07-09 US disclosed
US-8927293-B2 Methods and devices for analytical sensing of biogenic amines UNIVERSITY OF SOUTH CAROLINA (US) 2015-01-06 US disclosed
US-20080299669-A1 Methods and devices for analytical sensing of biogenic amines SOUTH CAROLINA, UNIVERSITY OF 2008-12-04 US disclosed