SCHEMBL30475485

SCHEMBL30475485

CC(C)(C)OC(=O)CCCOc1cccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.37
▸ LTB4R Q15722 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ BAK1 Q16611 1/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ P2RY12 Q9H244 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNA1 P78396 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
SCHEMBL25033869 1.00 TRPV3 (0.37) TRPV3LTB4RL3MBTL1MCL1BAK1
SCHEMBL25819525 0.92 CCNT1 (0.34) TRPV3LTB4RL3MBTL1CCNT1P2RY12
SCHEMBL25033937 0.84 FFAR4 (0.40) TRPV3MCL1BAK1
SCHEMBL25821509 0.84 FFAR4 (0.43) LTB4RMCL1BAK1
SCHEMBL26641260 0.79 FFAR4 (0.39) LTB4RMCL1BAK1
SCHEMBL19586404 0.77 ALDH1A1 (0.43) TRPV3L3MBTL1GRM5
SCHEMBL24881105 0.76 PRMT5 (0.36) TRPV3CCNT1
SCHEMBL24670625 0.75 GPR119 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL29990087 0.75 GPR119 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL27411319 0.75 PTPN1 (0.47) MCL1BAK1

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-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 — — CN disclosed
Send feedback