SCHEMBL7990560

SCHEMBL7990560

O=C(O)c1c(OCCS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.79
HSD11B1 P28845 1/20 0.40
MMP1 P03956 2/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 1/20 0.39
CTSD P07339 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7398298 0.89 MMP3 (1.00) MMP3MMP1MMP2MMP7MMP9
SCHEMBL7993523 0.87 MMP3 (0.70) MMP3MMP2MMP9MEN1NPC1
SCHEMBL7990239 0.81 MMP3 (0.78) MMP3HSD11B1MMP1MMP2MMP7
SCHEMBL7996733 0.77 MMP3 (0.49) MMP3CTSDMEN1NPC1ALDH1A1
SCHEMBL10935027 0.77 ALDH1A1 (0.52) MMP3METAP2METAP1CTSDMEN1
SCHEMBL7389205 0.76 MMP3 (1.00) MMP3MMP1MMP2MMP9MMP13
SCHEMBL8484523 0.76 IDO1 (0.49) MMP3CTSDMEN1ALDH1A1RAB9A
SCHEMBL7996699 0.73 MMP3 (0.76) MMP3MEN1ALDH1A1KMT2A
SCHEMBL4340803 0.72 CNR1 (0.57) CTSDMEN1ALDH1A1RAB9AKMT2A
SCHEMBL27777554 0.72 HTR1B (0.59) MMP3CTSDMEN1ALDH1A1RAB9A

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-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed