SCHEMBL7493128

SCHEMBL7493128

CCOC(=O)C(CC(=O)N(C)CCCc1ccc(Cl)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.40
▸ FDPS P14324 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ PPARG P37231 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7497814 0.81 CYP1A2 (0.47) FDPSTSHRL3MBTL1RAB9APPARA
SCHEMBL7493136 0.78 ALDH1A1 (0.50) EPHX2L3MBTL1ALDH1A1HTTLMNA
SCHEMBL11038591 0.71 PPARA (0.51) EPHX2TSHRL3MBTL1ALDH1A1PPARA
SCHEMBL20196974 0.70 PPARA (0.47) EPHX2ALDH1A1PPARAPPARGALOX5
SCHEMBL11203948 0.69 PPARA (0.48) EPHX2TSHRL3MBTL1ALDH1A1PPARA
SCHEMBL11205164 0.69 PPARA (0.56) EPHX2L3MBTL1ALDH1A1PPARAPPARG
SCHEMBL10383314 0.69 PPARA (0.48) EPHX2TSHRL3MBTL1ALDH1A1PPARA
SCHEMBL7484970 0.68 MEN1 (0.47) FDPSL3MBTL1ALDH1A1RAB9APPARA
SCHEMBL10419405 0.68 PPARA (0.47) EPHX2ALDH1A1PPARAPPARGKCNH2
SCHEMBL11271408 0.68 EPHX2 (0.46) EPHX2TSHRL3MBTL1ALDH1A1PPARA

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
US-6462042-B1 TUMOR NECROSIS FACTOR ALPHA CONVERTING ENZYME INHIBITORS; INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, CANCER, CARDIO-VASCULAR DISEASES, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, NEURODEGENERATION, ALZHEIMER'S DISEASE, STROKE DARWIN DISCOVERY LIMITED (GB) 2002-10-08 — — US disclosed
EP-1237867-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS Darwin Discovery Limited (GB) 2002-09-11 — — EP disclosed
WO-2001044188-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-06-21 — — WO disclosed
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