SCHEMBL9765259

SCHEMBL9765259

CCOC(=O)COc1ccc(CC(C)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 4/20 0.52
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL9765276 0.87 TBXA2R (0.60) NPSR1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL9765251 0.87 TBXA2R (0.60) NPSR1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL9765248 0.87 TBXA2R (0.60) NPSR1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL8441528 0.82 TSHR (0.49) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL11363199 0.81 TSHR (0.75) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL9811885 0.81 ADRB2 (0.53) GAANPSR1ALDH1A1ADRB2ADRB1
SCHEMBL9707079 0.81 PPARA (0.48) GAAPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL9707077 0.81 PPARA (0.48) GAAPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL9311344 0.80 TSHR (0.59) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL11379516 0.80 TBXA2R (0.74) GAANPSR1SMN1; SMN2TSHRALDH1A1

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