SCHEMBL30959248

SCHEMBL30959248

OC1(c2c(Cl)cc3c(cnn3C3CCCCO3)c2Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.36
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ P2RX7 Q99572 4/20 0.32
▸ IL1B P01584 2/20 0.32
▸ RET P07949 1/20 0.31
▸ ATR Q13535 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
SCHEMBL30959204 0.97 RXRA (0.38) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30959212 0.87 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31127840 0.87 DGAT2 (0.38) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30959599 0.85 RXRA (0.39) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31527099 0.83 RXRA (0.42) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL21196028 0.83 RXRA (0.41) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL29804208 0.83 RXRA (0.41) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL24535798 0.81 ALDH1A1 (0.43) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL21196016 0.81 CYP4F2 (0.40) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL24535803 0.81 RXRA (0.40) RXRARXRBRXRGDGAT2CYP4F2

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
CN-122029171-A Small molecule inhibitors of KRAS proteins 默沙东有限责任公司 2026-05-12 — — CN disclosed
WO-2025235740-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2025-11-13 — — WO disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
WO-2025085748-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2025-04-24 — — WO disclosed
WO-2025076523-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS, INC. (US) 2025-04-10 — — WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
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