SCHEMBL9765279

SCHEMBL9765279

CC(C)(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
RECQL P46063 1/20 0.50
KMT2A Q03164 2/20 0.48
ALPG P10696 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL9707019 0.85 ALDH1A1 (0.49) TDP1KDM4EKMT2AALDH1A1MAPT
SCHEMBL30079307 0.82 TSHR (0.63) TSHRTDP1KDM4ERECQLKMT2A
SCHEMBL9765252 0.80 TBXA2R (0.48) TSHRTDP1KDM4EALDH1A1GAA
SCHEMBL3936350 0.79 ALDH1A1 (0.44) TSHRTDP1KDM4EKMT2AALDH1A1
SCHEMBL3936345 0.79 ALDH1A1 (0.44) TSHRTDP1KDM4EKMT2AALDH1A1
SCHEMBL9765317 0.79 PTGS2 (0.52) TSHRTDP1KDM4EALDH1A1EGFR
SCHEMBL6271065 0.74 ALDH1A1 (0.66) KDM4EKMT2AALDH1A1CA1CA2
SCHEMBL12279884 0.72 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1GAAHTT
SCHEMBL12279267 0.72 EGFR (0.55) TDP1KDM4ERECQLKMT2AALDH1A1
SCHEMBL4781214 0.72 CA1 (0.61) TSHRTDP1KDM4ERECQLKMT2A

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