SCHEMBL8699740

SCHEMBL8699740

CC(C)(C)C(C(=O)O)(c1nc(N)sc1C(=O)c1ccc(O)cc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.42
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
BLM P54132 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SRD5A2 P31213 1/20 0.35
ELANE P08246 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDK5 Q00535 2/20 0.33

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
SCHEMBL13536655 0.73 HPGD (0.49) HPGDALDH1A1CCNA2CDK2MAPT
SCHEMBL2315805 0.72 NPC1 (0.45) HPGDALDH1A1CCNA2CDK2MAPT
SCHEMBL2314406 0.70 MAPT (0.49) HPGDALDH1A1CCNA2CDK2MAPT
SCHEMBL2315072 0.69 CCNA2 (0.46) HPGDALDH1A1CCNA2CDK2MAPT
SCHEMBL16039880 0.64 CCNA2 (0.65) CCNA2CDK2MAPTLMNANPC1
SCHEMBL3967297 0.63 ESR1 (0.50) HPGDALDH1A1BLMLMNAESR1
SCHEMBL9426626 0.63 IGFBP3 (0.43) HPGDALDH1A1CCNA2CDK2MAPT
SCHEMBL13638606 0.62 MEN1 (0.67) CHRM4ALDH1A1CCNA2CDK2MAPT
SCHEMBL165773 0.60 ADORA3 (0.61) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL23706076 0.60 BLM (0.53) HPGDALDH1A1BLMLMNAESR1

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
US-5712270-A TREATING PARKINSON*S DISEASE, DOWN*S SYNDROME, AND ALZHEIMER*S DISEASE WITH COGNITION ACTIVATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-27 US disclosed
US-5510478-A TREATMENT OF NEUROLOGICAL ILLNESSES RELATED TO CHOLINERGIC DEFICIENCY; ALZHEIMERS'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-23 US disclosed