SCHEMBL15623819

SCHEMBL15623819

CCC(C)C(=O)NCc1cccc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ BACE1 P56817 3/20 0.46
▸ MME P08473 1/20 0.46
▸ TPSAB1 Q15661 2/20 0.45
▸ PLG P00747 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ CFD P00746 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 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
SCHEMBL15623780 0.92 MME (0.51) TSHRMMECYP3A4ALDH1A1KDM4E
SCHEMBL15680236 0.85 CYP1A2 (0.47) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15680202 0.85 FNTA (0.48) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15602813 0.85 CARM1 (0.52) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15680091 0.82 BACE1 (0.49) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13296168 0.82 MAPT (0.51) MMECYP3A4ALDH1A1LMNAMAPT
SCHEMBL12302906 0.81 ERAP2 (0.63) TSHRBACE1MMECYP3A4ALDH1A1
SCHEMBL10031574 0.81 MME (0.65) TSHRCYP1A2CYP2D6MMECYP3A4
SCHEMBL1516159 0.81 MME (0.65) TSHRCYP1A2CYP2D6MMECYP3A4
SCHEMBL10283303 0.81 MME (0.65) TSHRCYP1A2CYP2D6MMECYP3A4

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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