SCHEMBL30922931

SCHEMBL30922931

Cc1cc2c(cnn2C2CCCCO2)c(Br)c1[C@@H]1C[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ ATR Q13535 4/20 0.32
▸ RET P07949 2/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KRAS P01116 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ PDE9A O76083 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
SCHEMBL30922696 1.00 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922887 0.92 CYP4F2 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31691662 0.92 CYP4F2 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922763 0.88 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31642702 0.88 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922619 0.88 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25375066 0.86 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30542412 0.86 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30542431 0.86 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922930 0.84 CYP4F2 (0.33) 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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