SCHEMBL8389751

SCHEMBL8389751

C#CC(C)(C)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
GAA P10253 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
ALOX12 P18054 2/20 0.46

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
SCHEMBL3078402 0.84 CA1 (0.48) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL28393150 0.83 ATM (0.50) ALDH1A1GAASMN1; SMN2CA1CA2
SCHEMBL634085 0.80 ALDH1A1 (0.79) ALDH1A1GAASMN1; SMN2CA1CA2
SCHEMBL23583261 0.80 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2CA1CA2
SCHEMBL3071850 0.77 KIF11 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL11252176 0.77 LMNA (0.52) ALDH1A1GAASMN1; SMN2CA1CA2
SCHEMBL25241499 0.76 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2CA1CA2
SCHEMBL15199346 0.76 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2CA1CA2
SCHEMBL13500312 0.74 PARG (0.56) ALDH1A1GAASMN1; SMN2CA1CA2
SCHEMBL3160804 0.74 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523904-B1 Process for preparing azetidin-2-one derivatives TAKASAGO PERFUMERY CO LTD (JP) 1999-04-28 EP disclosed
EP-0487343-B1 Process for preparing a lithographic plate FUJI PHOTO FILM CO LTD (JP) 1999-04-28 EP disclosed
US-5322939-A Process for preparing azetidin-2-one derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-06-21 US disclosed
EP-0523904-A1 Process for preparing azetidin-2-one derivatives Takasago International Corporation (JP) 1993-01-20 EP disclosed
EP-0487343-A1 Process for preparing a lithographic plate Fuji Photo Film Co., Ltd. (JP) 1992-05-27 EP disclosed