SCHEMBL9765267

SCHEMBL9765267

COc1ccc(S(=O)(=O)NC(C)Cc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.55
ALDH1A1 P00352 5/20 0.55
POLB P06746 2/20 0.55
MMP9 P14780 4/20 0.54
MMP2 P08253 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.51
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP14 P50281 1/20 0.49
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 1/20 0.49

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
SCHEMBL9765251 0.90 TBXA2R (0.60) ADAMTS4ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL9765276 0.90 TBXA2R (0.60) ADAMTS4ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL9765248 0.90 TBXA2R (0.60) ADAMTS4ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL9510498 0.89 ADRB2 (0.52) ADAMTS4ALDH1A1POLBMMP9MMP2
SCHEMBL9765270 0.86 KMT2A (0.54) ADAMTS4ALDH1A1POLBMMP9MMP2
SCHEMBL7294664 0.85 ITGB3 (0.51) ADAMTS4ALDH1A1POLBSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL9261313 0.85 ITGB3 (0.52) ADAMTS4ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL9765250 0.84 ALDH1A1 (0.57) ADAMTS4ALDH1A1POLBMMP9MMP2
SCHEMBL9765301 0.83 ALDH1A1 (0.67) ALDH1A1POLBMMP9MMP2SMN1; SMN2
SCHEMBL9765257 0.83 ALDH1A1 (0.67) ALDH1A1POLBMMP9MMP2SMN1; SMN2

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-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
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed