SCHEMBL6904606

SCHEMBL6904606

CCCCC(CCCCC1CC(C)(C)N(C)C(C)(C)C1)(C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL314126 0.80
SCHEMBL20429051 0.78 CYP1A2 (0.35) PKMMEN1HTTKMT2A
SCHEMBL2402463 0.77 MLNR (0.30) KMT2A
SCHEMBL27846199 0.77 ALDH1A1 (0.38) MEN1HTTKMT2A
SCHEMBL16912865 0.77 ALDH1A1 (0.38) MEN1HTTKMT2A
SCHEMBL20434800 0.77 CYP1A2 (0.41) PKMHTTPOLBHPGD
SCHEMBL1768977 0.75 ALDH1A1 (0.36) PKMMEN1HTTKMT2AMAPT
Formic Acid SCHEMBL29654072 0.74 CYP1A2 (0.34) PKMHTTMAPTPOLBHPGD
SCHEMBL15299925 0.73 KDM5A (0.43) MEN1KMT2A
SCHEMBL15300078 0.73 KDM5A (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084183-B1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION GREAT LAKES CHEMICAL EUROP (CH) 2004-06-16 EP disclosed