SCHEMBL22957034

SCHEMBL22957034

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.44
▸ HRH4 Q9H3N8 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ REN P00797 2/20 0.38

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
SCHEMBL20661666 0.87 ITGB2 (0.41) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL20840787 0.82 HRH3 (0.43) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL21848380 0.81 HRH3 (0.41) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL19483446 0.77 CYP3A4 (0.47) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL19483449 0.77 CYP3A4 (0.47) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL18159671 0.77 ITGB2 (0.42) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL18159672 0.77 ITGB2 (0.42) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL12319926 0.74 HRH3 (0.42) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL12322755 0.72 HRH3 (0.43) HRH3HRH4ALDH1A1CYP1A2MEN1
SCHEMBL23787378 0.72 ITGB2 (0.56) HRH3HRH4ALDH1A1CYP1A2MEN1

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
US-10913948-B2 RNA interference in dermal and fibrotic indications PHIO PHARMACEUTICALS CORP. (US) 2021-02-09 — — US disclosed
Send feedback