SCHEMBL9765332

SCHEMBL9765332

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 4/20 0.56
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 1/20 0.50
GRIA4 P48058 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL9510518 0.91 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL9777951 0.90 SMN1; SMN2 (0.57) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL9512747 0.84 HSP90AA1 (0.55) TSHRPOLBHSP90AA1HSP90AB1PDK1
SCHEMBL11363199 0.82 TSHR (0.75) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL11364586 0.82 KMT2A (0.69) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL10339107 0.82 PKM (0.51) SMN1; SMN2TSHRGAAPOLBALDH1A1
SCHEMBL8440203 0.81 TSHR (0.52) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL11379516 0.81 TBXA2R (0.74) SMN1; SMN2TSHRGAANPSR1ALDH1A1
SCHEMBL10701921 0.80 ALDH1A1 (0.56) TSHRPOLBHSP90AA1HSP90AB1PDK1
SCHEMBL7924006 0.80 SMN1; SMN2 (0.61) SMN1; SMN2TSHRGAANPSR1POLB

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