SCHEMBL7095095

SCHEMBL7095095

CCOC(=O)CCC1([O-])CCN(C(=O)OC(C)(C)C)CC1.CCOC(=O)CCC1([O-])CCN(C(=O)OC(C)(C)C)CC1.[Pd+2]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4689282 0.84 USP2 (0.41) USP2SMN1; SMN2L3MBTL1RAB9ATSHR
SCHEMBL26635835 0.84 USP2 (0.41) USP2SMN1; SMN2L3MBTL1RAB9ATSHR
SCHEMBL26636170 0.83 USP2 (0.40) USP2SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL7095094 0.83 GPR4 (0.40) USP2SMN1; SMN2L3MBTL1RAB9ATSHR
SCHEMBL31722622 0.81 ALDH1A1 (0.39) USP2SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL27086843 0.80 L3MBTL1 (0.39) USP2SMN1; SMN2L3MBTL1RAB9ATSHR
SCHEMBL7169883 0.79 USP2 (0.43) USP2SMN1; SMN2HPGDGPR119EPHX2
SCHEMBL31511698 0.78 HPGD (0.41) USP2SMN1; SMN2TSHRLMNADDB1
SCHEMBL14085907 0.77 EPHX1 (0.43) USP2SMN1; SMN2L3MBTL1TSHRPOLB
SCHEMBL606911 0.77 SMN1; SMN2 (0.44) USP2SMN1; SMN2L3MBTL1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed