SCHEMBL12319926

SCHEMBL12319926

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ ITGB2 P05107 2/20 0.42
▸ ICAM1 P05362 2/20 0.42
▸ ITGAL P20701 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.40
▸ REN P00797 1/20 0.39

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 0.89 HRH3 (0.43) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL19483449 0.80 CYP3A4 (0.47) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL19483446 0.80 CYP3A4 (0.47) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL8906903 0.77 HRH3 (0.47) HRH3HRH4ITGB2ICAM1ITGAL
SCHEMBL12323344 0.76 HRH4 (0.49) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL23387015 0.75 HRH3 (0.47) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL14961160 0.75 ITGB2 (0.49) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL14961161 0.75 ITGB2 (0.49) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL10001165 0.74 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL22957034 0.74 HRH3 (0.44) HRH3HRH4ALDH1A1MEN1GLA

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
WO-2011119871-A1 RNA INTERFERENCE IN OCULAR INDICATIONS RXI PHRMACEUTICALS CORPORATION (US) 2011-09-29 — — WO disclosed
WO-2011119852-A1 REDUCED SIZE SELF-DELIVERING RNAI COMPOUNDS RXI PHARMACEUTICALS CORPORATION (US) 2011-09-29 — — WO disclosed
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