SCHEMBL21696541

SCHEMBL21696541

Cc1cc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccc(-c3c(C)noc3C)cc2)on1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 9/20 0.57
▸ ELOC Q15369 3/20 0.57
▸ ELOB Q15370 3/20 0.57
▸ PKM P14618 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ F2 P00734 1/20 0.41
▸ AADAT Q8N5Z0 1/20 0.40

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
SCHEMBL21696918 0.97 VHL (0.56) VHLELOCELOBPKMCYP3A4
SCHEMBL21697218 0.89 VHL (0.56) VHLELOCELOBPKMCYP3A4
SCHEMBL21696667 0.89 PKM (0.58) VHLELOCELOBPKMCYP3A4
SCHEMBL21696696 0.89 VHL (0.54) VHLELOCELOBPKMCYP3A4
SCHEMBL16277211 0.89 VHL (0.57) VHLELOCELOBPKMCYP3A4
SCHEMBL16277209 0.89 VHL (0.57) VHLELOCELOBPKMCYP3A4
SCHEMBL21697385 0.87 VHL (0.53) VHLELOCELOBPKMCYP3A4
SCHEMBL21696951 0.87 ALDH1A1 (0.56) VHLELOCELOBPKMCYP3A4
SCHEMBL15126261 0.87 VHL (0.59) VHLELOCELOBPKMCYP3A4
SCHEMBL21696687 0.87 VHL (0.59) VHLELOCELOBPKMCYP3A4

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
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 — — EP disclosed
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