SCHEMBL25426460

SCHEMBL25426460

Oc1ccc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ CYP4F2 P78329 5/20 0.41
▸ CYP4A11 Q02928 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATR Q13535 11/20 0.35
▸ PDE10A Q9Y233 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL29478977 0.85 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21198168 0.85 ALDH1A1 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30758927 0.85 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19949097 0.85 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19637212 0.85 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21196032 0.85 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141295 0.85 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5407010 0.85 CYP4F2 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25795329 0.84 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24968167 0.82 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141570-A9 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2024-06-27 — — WO disclosed
WO-2023141570-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2023-07-27 — — WO disclosed
WO-2023141570-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2023-07-27 — — WO disclosed
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