SCHEMBL28667525

SCHEMBL28667525

CC(C)(C)NC(=O)OCCCCCCNC(=O)COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.54
▸ VHL P40337 1/20 0.51
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL28649816 0.89 AR (0.56) ARVHLALDH1A1NPC1RAB9A
SCHEMBL30617809 0.88 AR (0.57) ARVHLRAF1BRAFNPC1
SCHEMBL30908029 0.88 AR (0.57) ARVHLRAF1BRAFNPC1
SCHEMBL28654521 0.88 AR (0.56) ARVHLALDH1A1NPC1RAB9A
SCHEMBL28650197 0.88 AR (0.58) ARVHLRAF1BRAFNPC1
SCHEMBL23846235 0.87 AR (0.61) ARVHLRAF1BRAFNPC1
SCHEMBL22263332 0.87 AR (0.60) ARVHLRAF1BRAFALDH1A1
Hydrochloric Acid SCHEMBL30938119 0.86 AR (0.59) ARVHLALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL22263225 0.86 AR (0.59) ARVHLALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL30938120 0.86 AR (0.59) ARVHLALDH1A1NPC1RAB9A

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
CN-113677668-A Bifunctional compounds and methods for androgen receptor targeted ubiquitination 蒙特利诺治疗公司 2021-11-19 — — CN disclosed
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