SCHEMBL9032136

SCHEMBL9032136

CCOC(=O)C1CCC(C(=O)OC(C)(C)C)S1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PDK1 Q15118 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
MAPT P10636 4/20 0.36
FKBP1A P62942 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL9032138 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1TSHRNFKB1
SCHEMBL9032134 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1TSHRNFKB1
SCHEMBL9032127 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1TSHRNFKB1
SCHEMBL8786063 0.87 PPM1B (0.43) ALDH1A1KMT2AMEN1PDK1PPM1B
SCHEMBL9025801 0.87 MAPK1 (0.37) ALDH1A1KMT2AGAAHPGDRECQL
SCHEMBL68627 0.87 PPM1B (0.43) ALDH1A1KMT2AMEN1PDK1PPM1B
SCHEMBL9032290 0.80 PPM1B (0.46) ALDH1A1KMT2AMEN1TSHRPDK1
SCHEMBL9025810 0.80 BTK (0.36) ALDH1A1KMT2AHSD17B10
SCHEMBL1296762 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TSHRPPM1B
SCHEMBL9031661 0.76 NR1H2 (0.34) ALDH1A1KMT2A

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-0558287-B1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 1996-12-04 EP disclosed
US-5292767-A Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 US disclosed
EP-0558287-A1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed