SCHEMBL19558708

SCHEMBL19558708

CC(C)CN(CCCNC(=O)O)S(=O)(=O)c1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.51
RORC P51449 5/20 0.48
MMP3 P08254 7/20 0.46
MMP2 P08253 2/20 0.46
MMP13 P45452 2/20 0.46
MMP14 P50281 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
ADAM17 P78536 1/20 0.46
ADAMTS4 O75173 2/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL18721777 0.89 TAS2R14 (0.55) TAS2R14RORCMMP3MMP2MMP13
SCHEMBL13265885 0.86 TAS2R14 (0.52) TAS2R14RORCMMP3MMP2MMP13
SCHEMBL19558612 0.84 TAS2R14 (0.54) TAS2R14RORCMMP3MMP2MMP13
SCHEMBL19558622 0.76 KMT2A (0.35) RORCALDH1A1KMT2ALMNA
SCHEMBL8276256 0.75 MMP2 (0.58) TAS2R14MMP2MMP13ALDH1A1LMNA
SCHEMBL12734386 0.74 TAS2R14 (0.46) TAS2R14RORCMMP3MMP2MMP13
SCHEMBL15737599 0.73 SPPL2A (0.60) LMNA
SCHEMBL13770738 0.71 CA1 (0.49) TAS2R14MMP3
SCHEMBL15759123 0.71 TAS2R14 (0.54) TAS2R14RORCMMP3MMP2MMP13
SCHEMBL20258639 0.71 RORC (0.57) TAS2R14RORCMMP3MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed