SCHEMBL1855089

SCHEMBL1855089

CC(C)(C)C1=CC(=O)C(O)=C(C(C)(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
ATM Q13315 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CES2 O00748 1/20 0.45
PKM P14618 1/20 0.45
CES1 P23141 1/20 0.45
MPI P34949 1/20 0.45
MCL1 Q07820 1/20 0.39
KMT2A Q03164 3/20 0.38
THRB P10828 2/20 0.38
XIAP P98170 1/20 0.34
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
P4HB P07237 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MEN1 O00255 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
SCHEMBL7876766 0.83 MAPT (0.45) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL28760815 0.80 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL7961019 0.77 MAPT (0.47) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL9321186 0.71 ALDH1A1 (0.39) MAPTALDH1A1ATMMCL1KMT2A
SCHEMBL10339622 0.70 MAPT (0.43) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL29416669 0.70 KMT2A (0.36) MAPTALDH1A1ATMHPGDKMT2A
SCHEMBL8614888 0.70 MAPT (0.59) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL49783 0.69 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL152956 0.69 EEF2K (0.37) MAPTALDH1A1HPGDKMT2ATHRB
SCHEMBL5038883 0.67 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482912-B1 NALTREXONE HYDROCHLORIDE COMPOSITIONS EURO CELTIQUE SA (LU) 2011-05-25 EP claimed
CN-1308292-C Succinic acid semi-amides as anti-corrosives agents CIBA SC HOLDING AG (CH) 2007-04-04 CN disclosed
CN-1681772-A Succinic acid semi-amides as anti-corrosives agents CIBA SC HOLDING AG (CH) 2005-10-12 CN disclosed
EP-0769016-B1 PROCESS FOR PRODUCING LIGHT-COLOURED SURFACTANTS HENKEL KGAA (DE) 1998-09-30 EP disclosed
US-4371646-A 2,6-Di-tertiary butyl phenyl phosphites and synthetic resin compositions having enhanced stability to heat and light ADEKA ARGUS CHEMICAL CO. LTD. (JP) 1983-02-01 US disclosed