SCHEMBL7074387

SCHEMBL7074387

CN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccccc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PTGER2 P43116 2/20 0.41
MMP2 P08253 4/20 0.41
MMP8 P22894 4/20 0.41
MMP12 P39900 4/20 0.41
MMP13 P45452 4/20 0.41
MMP14 P50281 4/20 0.41
MMP16 P51512 4/20 0.41
ACKR3 P25106 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 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
SCHEMBL7076158 0.88 MMP2 (0.44) ALDH1A1HPGDKMT2AMEN1PTGER2
SCHEMBL7076161 0.79 ALDH1A1 (0.41) ALDH1A1HPGDKMT2AMEN1PTGER2
SCHEMBL7076517 0.75 ALDH1A1 (0.44) ALDH1A1HPGDKMT2AMEN1PTGER2
SCHEMBL1650806 0.72 ESR1 (0.57) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL6571290 0.72 PTGER2 (0.68) PTGER2
SCHEMBL7077693 0.70 RAB9A (0.49) ALDH1A1HPGDKMT2AMEN1RAB9A
SCHEMBL7072305 0.70 HDAC3 (0.42) ALDH1A1HPGDKMT2AMEN1MMP13
SCHEMBL5725296 0.70 PTGER2 (0.45) ALDH1A1HPGDKMT2AMEN1PTGER2
SCHEMBL2396386 0.67 LOXL2 (0.46) ALDH1A1HPGDKMT2AMEN1LOXL2
SCHEMBL2393157 0.67 LOXL2 (0.53) ALDH1A1HPGDKMT2AMEN1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed