SCHEMBL3395333

SCHEMBL3395333

CCOC(=O)C1CCC(OC)CC1.CO[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3395326 1.00 MAPT (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL2374740 0.91 MAPT (0.50) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL663520 0.91 MAPT (0.50) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL663519 0.91 MAPT (0.50) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL21360459 0.89 MAPT (0.51) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1957759 0.89 MAPT (0.51) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL14330028 0.89 MEN1 (0.35) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL15308686 0.81 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL31196261 0.81 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL19816466 0.81 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1CYP3A4

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-3666758-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE AbbVie Inc. (US) 2020-06-17 EP disclosed
EP-2376480-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-06-01 EP disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed