SCHEMBL12323344

SCHEMBL12323344

CC(=O)C(C)N[C@@H](Cc1cnc[nH]1)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.49
▸ HRH3 Q9Y5N1 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ CYP3A4 P08684 3/20 0.48
▸ SLC7A5 Q01650 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ ITGB2 P05107 2/20 0.47
▸ ICAM1 P05362 2/20 0.47
▸ ITGAL P20701 2/20 0.47
▸ QPCT Q16769 1/20 0.47
▸ QPCTL Q9NXS2 1/20 0.47
▸ GABRA1 P14867 1/20 0.42

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
SCHEMBL12322755 0.88 HRH3 (0.43) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL13979576 0.83 CYP3A4 (0.51) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL15119370 0.83 CYP3A4 (0.51) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL1641647 0.83 CYP3A4 (0.51) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL29405299 0.82 ITGB2 (0.56) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL17697368 0.82 CYP3A4 (0.54) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL15080457 0.82 REN (0.54) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL18748750 0.81 CYP3A4 (0.49) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL12829313 0.79 CYP3A4 (0.48) HRH4HRH3ALDH1A1NFKB1CYP1A2
SCHEMBL13187470 0.78 ITGB2 (0.49) HRH4HRH3ALDH1A1NFKB1CYP1A2

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
WO-2011119887-A1 RNA INTERFERENCE IN DERMAL AND FIBROTIC INDICATIONS RXI PHARMACEUTICALS CORPORATION (US) 2011-09-29 — — WO disclosed
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