SCHEMBL30922816

SCHEMBL30922816

Clc1cc2c(cnn2C2CCCCO2)c(Br)c1CCCBr

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PDE1A P54750 3/20 0.31
▸ PDE1B Q01064 3/20 0.31
▸ PDE1C Q14123 3/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ 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
SCHEMBL30922777 0.97 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27306400 0.91 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922464 0.91 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27300174 0.90 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922608 0.89 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922456 0.88 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922999 0.88 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922866 0.88 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922896 0.87 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31127858 0.87 RXRA (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 — — WO disclosed
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