SCHEMBL15623780

SCHEMBL15623780

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.51
▸ CYP3A4 P08684 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ERCC1 P07992 1/20 0.49
▸ ERCC4 Q92889 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL15623819 0.92 TSHR (0.47) MMECYP3A4ALDH1A1KDM4EGAA
SCHEMBL13296168 0.89 MAPT (0.51) MMECYP3A4ALDH1A1LMNAMAPT
SCHEMBL12302906 0.88 ERAP2 (0.63) MMECYP3A4ALDH1A1KDM4EGAA
SCHEMBL10031574 0.88 MME (0.65) MMECYP3A4ALDH1A1GAATSHR
SCHEMBL10283303 0.88 MME (0.65) MMECYP3A4ALDH1A1GAATSHR
SCHEMBL1516159 0.88 MME (0.65) MMECYP3A4ALDH1A1GAATSHR
SCHEMBL18697528 0.87 RIPK1 (0.61) MMECYP3A4ALDH1A1KDM4EGAA
SCHEMBL3882782 0.87 MLYCD (0.56) CYP3A4KDM4EGAARAB9ALMNA
SCHEMBL14229597 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL13039581 0.87 BCHE (0.50) MMECYP3A4ALDH1A1KDM4EGAA

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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