SCHEMBL9510529

SCHEMBL9510529

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 4/20 0.51
IDH1 O75874 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL9765334 0.90 GAA (0.55) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL9512076 0.87 TBXA2R (0.55) GAAPOLBSMN1; SMN2TSHRIDH1
SCHEMBL28499595 0.80 KDM4E (0.56) GAANPSR1POLBSMN1; SMN2ATM
SCHEMBL11364586 0.80 KMT2A (0.69) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL11363199 0.78 TSHR (0.75) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL27288747 0.76 GAA (0.55) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL11379516 0.76 TBXA2R (0.74) GAANPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL7924006 0.75 SMN1; SMN2 (0.61) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL9765332 0.75 SMN1; SMN2 (0.58) GAANPSR1POLBSMN1; SMN2TSHR
SCHEMBL9510518 0.75 SMN1; SMN2 (0.58) GAANPSR1POLBSMN1; SMN2TSHR

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-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed