SCHEMBL4650137

SCHEMBL4650137

COCc1cc(OCCCOS(C)(=O)=O)cc(C(=O)OC)c1.CS(=O)(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ ATM Q13315 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ ADAMTS4 O75173 1/20 0.32

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
SCHEMBL2533056 0.96 MAPT (0.39) MAPTATMCA12CA1CA2
SCHEMBL2528483 0.80 CYP4A11 (0.46) MAPTATMCA12CA1CA2
SCHEMBL16493140 0.79 NOTUM (0.43) MAPTCA12CA1CA2CA7
SCHEMBL4402201 0.76 ALDH1A1 (0.44) MAPTCA12CA1CA2CA7
SCHEMBL12563864 0.75 MAPT (0.47) MAPTATMCA12CA1CA2
SCHEMBL14812151 0.75 MAPT (0.47) MAPTCA12CA1CA2CA7
SCHEMBL89159 0.74 KDM4E (0.48) MAPTCA12CA1CA2CA7
SCHEMBL4207152 0.74 HPGD (0.55) RAB9AALDH1A1LMNAHPGDMRGPRX4
SCHEMBL22946239 0.74 ALDH1A1 (0.49) MAPTCA12CA1CA2CA7
SCHEMBL31634963 0.74 ALDH1A1 (0.49) MAPTCA12CA1CA2CA7

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-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 — — EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 — — WO disclosed
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