SCHEMBL30758927

SCHEMBL30758927

Brc1c(I)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP4F2 P78329 5/20 0.37
▸ CYP4A11 Q02928 5/20 0.37
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ATR Q13535 6/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ CYP2C19 P33261 1/20 0.30
▸ RET P07949 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
SCHEMBL29478977 0.85 CYP4F2 (0.44) RXRARXRBRXRGALDH1A1POLB
SCHEMBL21196032 0.85 CYP4F2 (0.44) RXRARXRBRXRGALDH1A1POLB
SCHEMBL19949097 0.85 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL21198168 0.85 ALDH1A1 (0.45) RXRARXRBRXRGALDH1A1POLB
SCHEMBL19637212 0.85 CYP4F2 (0.44) RXRARXRBRXRGALDH1A1POLB
SCHEMBL25426460 0.85 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL25795329 0.84 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL31643320 0.82 RXRA (0.40) RXRARXRBRXRGALDH1A1POLB
SCHEMBL24968167 0.82 RXRA (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL31628652 0.82 RXRA (0.42) RXRARXRBRXRGALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713330-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2026-03-25 — — EP disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
EP-4573095-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-06-25 — — EP disclosed
WO-2024235286-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED LIMITED (CN) 2024-11-21 — — WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
WO-2024040131-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-02-22 — — WO disclosed
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