SCHEMBL8095873

SCHEMBL8095873

CC(NS(=O)(=O)CCOCCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ADAMTS4 O75173 1/20 0.43
HTT P42858 1/20 0.42
MME P08473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACE P12821 1/20 0.39
ABCB11 O95342 1/20 0.39
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL4621065 0.86 MMP8 (0.51) MEN1TSHRKMT2AADAMTS4HTT
SCHEMBL4621599 0.86 MMP8 (0.51) MEN1TSHRKMT2AADAMTS4HTT
SCHEMBL4619221 0.86 MMP8 (0.51) MEN1TSHRKMT2AADAMTS4HTT
SCHEMBL27375585 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19ABCB11
SCHEMBL8653921 0.77 MMP1 (0.40) ALDH1A1ABCB11HPGDMMP1MMP7
SCHEMBL7475872 0.76 SLC1A3 (0.60) MEN1TSHRKMT2AADAMTS4HTT
SCHEMBL18697078 0.76 SLC1A3 (0.60) MEN1TSHRKMT2AADAMTS4HTT
SCHEMBL7462670 0.76 SLC1A3 (0.60) MEN1TSHRKMT2AADAMTS4HTT
SCHEMBL8101285 0.76 MMP12 (0.61) ABCB11MMP1MMP7MMP8MMP12
SCHEMBL8657587 0.76 MMP8 (0.51) MEN1KMT2AALDH1A1ABCB11HPGD

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-6080869-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 2000-06-27 US disclosed