SCHEMBL30124206

SCHEMBL30124206

CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ ATR Q13535 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL6508680 1.00 RET (0.32) RETDGAT2RXRARXRBRXRG
SCHEMBL26925293 0.91 RET (0.32) RETDGAT2RXRARXRBRXRG
SCHEMBL14792046 0.87 — —
SCHEMBL31089969 0.86 GAA (0.36) RETDGAT2RXRARXRBRXRG
SCHEMBL20765180 0.86 GAA (0.36) RETDGAT2RXRARXRBRXRG
SCHEMBL29168077 0.85 IDO1 (0.35) RETDGAT2RXRARXRBRXRG
SCHEMBL14800595 0.83 IDO1 (0.34) RETDGAT2RXRARXRBRXRG
SCHEMBL12370608 0.83 CYP4F2 (0.33) RETCYP4F2CYP4A11ATR
SCHEMBL657359 0.83 ATR (0.34) RETDGAT2RXRARXRBRXRG
SCHEMBL19286458 0.82 DGAT2 (0.33) RETDGAT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 — — EP disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 — — WO disclosed
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