SCHEMBL7437440

SCHEMBL7437440

C[C@H](CNO)CS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.47
HSD11B1 P28845 4/20 0.42
MMP13 P45452 8/20 0.42
MMP1 P03956 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL6098280 0.81 PSIP1 (0.48) PSIP1HSD11B1MMP13MMP1POLB
SCHEMBL7347214 0.80 PSIP1 (0.52) PSIP1HSD11B1MMP13MMP1POLB
SCHEMBL2444476 0.78 PSIP1 (0.59) PSIP1HSD11B1MMP13MMP1POLB
SCHEMBL7347205 0.78 PSIP1 (0.54) PSIP1HSD11B1MMP13MMP1POLB
SCHEMBL7724605 0.76 PSIP1 (0.56) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL9426107 0.76 PSIP1 (0.56) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL778303 0.75 PSIP1 (0.60) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL15214393 0.75 PSIP1 (0.50) PSIP1HSD11B1MMP13MMP1POLB
SCHEMBL20780856 0.75 PSIP1 (0.55) PSIP1HSD11B1MMP13MMP1POLB
SCHEMBL12249321 0.75 PSIP1 (0.50) PSIP1HSD11B1MMP13MMP1ALDH1A1

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
WO-1990005719-A1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-05-31 WO disclosed