SCHEMBL2779696

SCHEMBL2779696

CCc1ccc(CC(NNC(C)C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.46
MME P08473 9/20 0.46
ACE2 Q9BYF1 9/20 0.46
CPA1 P15085 8/20 0.46
FOLH1 Q04609 1/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
ACACB O00763 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2779693 1.00 ACE (0.46) ACEMMEACE2CPA1FOLH1
Hydrochloric Acid SCHEMBL6775146 0.98 ACE (0.44) ACEMMEACE2CPA1FOLH1
SCHEMBL2780446 0.86 LMNA (0.54) ACEMMEACE2CPA1ALDH1A1
SCHEMBL2780445 0.86 LMNA (0.54) ACEMMEACE2CPA1ALDH1A1
Hydrochloric Acid SCHEMBL6774734 0.83 MME (0.47) ACEMMEACE2CPA1FOLH1
SCHEMBL22444653 0.81 PPARG (0.47) ACEMMEACE2CPA1FOLH1
SCHEMBL26008168 0.81 PPARG (0.47) ACEMMEACE2CPA1FOLH1
SCHEMBL2779520 0.81 PPARG (0.42) ACEMMEACE2CPA1FOLH1
SCHEMBL2778117 0.81 PPARG (0.42) ACEMMEACE2CPA1FOLH1
Hydrochloric Acid SCHEMBL6770872 0.80 PPARG (0.41) ACEMMEACE2CPA1FOLH1

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-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 EP disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 EP disclosed