SCHEMBL9765309

SCHEMBL9765309

COc1cc(CC(C)NS(=O)(=O)c2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.49
THRB P10828 1/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LDHA P00338 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.43
TBXA2R P21731 1/20 0.43
TBXAS1 P24557 1/20 0.43

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
SCHEMBL9765285 0.88 KDM4E (0.53) ALDH1A1HPGDHSD17B10SMN1; SMN2CYP1A2
SCHEMBL9514097 0.87 FFAR1 (0.50) ALDH1A1HPGDHSD17B10SMN1; SMN2CYP1A2
SCHEMBL9765288 0.87 ADRA1D (0.56) ALDH1A1HPGDHSD17B10HTTTHRB
SCHEMBL9765276 0.82 TBXA2R (0.60) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL9765248 0.82 TBXA2R (0.60) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL9765315 0.82 HTT (0.49) ALDH1A1HPGDHSD17B10HTTTHRB
SCHEMBL9765251 0.82 TBXA2R (0.60) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL10711216 0.79 FFAR1 (0.47) ALDH1A1HPGDHSD17B10TSHRSMN1; SMN2
SCHEMBL9514151 0.78 PTGDR2 (0.49) ALDH1A1TSHRSMN1; SMN2
SCHEMBL9765267 0.77 ADAMTS4 (0.55) ALDH1A1HSD17B10POLBSMN1; SMN2TBXA2R

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