SCHEMBL15623784

SCHEMBL15623784

CCC(O)C(=O)NCc1cccc(CNC(=O)C(O)CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ PKM P14618 2/20 0.48
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GLS O94925 1/20 0.45
▸ ERCC1 P07992 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL15680236 0.92 CYP1A2 (0.47) KMT2APKMGLSCYP1A2CYP2D6
SCHEMBL20407732 0.88 KMT2A (0.57) KMT2APOLBMEN1ALDH1A1CYP3A4
SCHEMBL9276848 0.88 KMT2A (0.57) KMT2APOLBMEN1ALDH1A1CYP3A4
SCHEMBL17548796 0.88 KMT2A (0.57) KMT2APOLBMEN1ALDH1A1CYP3A4
SCHEMBL15623780 0.83 MME (0.51) KMT2APKMPOLBMEN1HPGD
SCHEMBL15006852 0.82 EPHX2 (0.49) —
SCHEMBL15006998 0.82 EPHX2 (0.49) —
SCHEMBL15007033 0.82 EPHX2 (0.49) —
SCHEMBL15623811 0.81 FNTA (0.52) KMT2APKMPOLBMEN1
SCHEMBL12452823 0.80 ERCC1 (0.67) KMT2APKMPOLBMEN1HPGD

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-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 — — US disclosed
EP-2711077-A1 OXYGEN ABSORBER Mitsubishi Gas Chemical Company, Inc. (JP) 2014-03-26 — — EP disclosed
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