SCHEMBL7095094

SCHEMBL7095094

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.99 USP2 (0.41) GPR4USP2SMN1; SMN2L3MBTL1TSHR
SCHEMBL26635835 0.85 USP2 (0.41) USP2SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL2958409 0.85 USP2 (0.36) GPR4USP2SMN1; SMN2L3MBTL1TSHR
SCHEMBL240646 0.85 SMN1; SMN2 (0.43) GPR4USP2SMN1; SMN2L3MBTL1TSHR
SCHEMBL26636170 0.84 USP2 (0.40) USP2SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL7095095 0.83 USP2 (0.39) USP2SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL3314428 0.83 SMN1; SMN2 (0.41) GPR4USP2SMN1; SMN2L3MBTL1TSHR
SCHEMBL16130103 0.82 USP2 (0.45) GPR4USP2SMN1; SMN2TSHRDDB1
SCHEMBL26665513 0.82 USP2 (0.47) GPR4USP2SMN1; SMN2TSHRDDB1
SCHEMBL27086843 0.81 L3MBTL1 (0.39) USP2SMN1; SMN2L3MBTL1TSHRLMNA

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