SCHEMBL9765270

SCHEMBL9765270

CC(Cc1ccc(OCC(=O)O)cc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.50
HCRTR1 O43613 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MMP13 P45452 2/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
ADAMTS4 O75173 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9765267 0.86 ADAMTS4 (0.55) LMNAALDH1A1MMP13MMP1MMP2
SCHEMBL9765248 0.86 TBXA2R (0.60) KMT2AMEN1ALDH1A1MMP13ADAMTS4
SCHEMBL9765251 0.86 TBXA2R (0.60) KMT2AMEN1ALDH1A1MMP13ADAMTS4
SCHEMBL9765276 0.86 TBXA2R (0.60) KMT2AMEN1ALDH1A1MMP13ADAMTS4
SCHEMBL9510498 0.85 ADRB2 (0.52) ALDH1A1MMP13MMP1MMP2MMP3
SCHEMBL7294664 0.82 ITGB3 (0.51) KMT2AMEN1ALDH1A1ADAMTS4NPSR1
Hydrochloric Acid SCHEMBL9261313 0.81 ITGB3 (0.52) KMT2AMEN1ALDH1A1ADAMTS4NPSR1
SCHEMBL8769925 0.78 ALDH1A1 (0.61) KMT2AMEN1LMNAMAPTALDH1A1
Water SCHEMBL8769949 0.77 ALDH1A1 (0.59) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL656493 0.77 ALDH1A1 (0.60) KMT2AMEN1LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP claimed
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed