SCHEMBL18375958

SCHEMBL18375958

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ HRH3 Q9Y5N1 6/20 0.40
▸ HRH4 Q9H3N8 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ QPCT Q16769 1/20 0.39
▸ QPCTL Q9NXS2 1/20 0.39
▸ SLC6A5 Q9Y345 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
SCHEMBL18786594 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL17570989 0.91 ITGB2 (0.39) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL17750695 0.89 HRH3 (0.40) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL15691407 0.89 HRH3 (0.40) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL16802380 0.87 ITGB2 (0.41) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL17570925 0.87 ITGB2 (0.41) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL14962808 0.86 ITGB2 (0.41) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL18552977 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL23387015 0.78 HRH3 (0.47) ITGB2ICAM1ITGALHRH3HRH4
SCHEMBL14961161 0.76 ITGB2 (0.49) ITGB2ICAM1ITGALHRH3HRH4

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-2017007813-A1 NUCLEIC ACID MOLECULES TARGETING SUPEROXIDE DISMUTASE 1 (SOD1) RXI PHARMACEUTICALS CORPORATION (US) 2017-01-12 — — WO disclosed
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