SCHEMBL1433455

SCHEMBL1433455

CCOC(=O)C1(NC(=O)OC(C)(C)C)CC1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.31
CTSL P07711 1/20 0.31
CPB2 Q96IY4 1/20 0.31
HCRTR2 O43614 1/20 0.31
EPHX2 P34913 1/20 0.31
ELANE P08246 1/20 0.31
BTK Q06187 1/20 0.31
CACNA1H O95180 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL6051013 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL375218 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL5527908 0.86 MEN1 (0.38) KMT2AMEN1MAPK1CYP2C9EPHX1
SCHEMBL19388187 0.83 KMT2A (0.37) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL8200484 0.83 KMT2A (0.39) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL5427004 0.83 KMT2A (0.39) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL2630591 0.82 KMT2A (0.40) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL3645354 0.81 KMT2A (0.39) KMT2AALDH1A1MEN1MAPK1EPHX1
SCHEMBL1635700 0.81 KMT2A (0.39) KMT2AALDH1A1MEN1MAPK1EPHX1
SCHEMBL15125116 0.81 KMT2A (0.39) KMT2AALDH1A1MEN1MAPK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023044171-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-03-23 WO disclosed
EP-2300490-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-30 EP disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009146347-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-03 WO disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 WO disclosed
EP-2086963-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
EP-2086995-A1 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
EP-2049474-A2 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008060927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
WO-2008008776-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-17 WO disclosed