SCHEMBL31539765

SCHEMBL31539765

COC(=O)/C(F)=C/c1ccc2cnn(C3CCCCO3)c2c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 3/20 0.36
▸ CYP4A11 Q02928 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATR Q13535 5/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ABL1 P00519 1/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ POLQ O75417 1/20 0.30
▸ MCL1 Q07820 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
SCHEMBL31539717 0.89 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539681 0.89 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539761 0.89 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539834 0.83 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539747 0.83 CYP4F2 (0.33) CYP4F2CYP4A11ALDH1A1ATRABL1
SCHEMBL31539745 0.82 DGAT2 (0.32) CYP4F2CYP4A11ATRABL1SLC6A3
SCHEMBL31539800 0.81 ABL1 (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539673 0.80 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539783 0.80 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539731 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025052129-A1 PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. NRG THERAPEUTICS LTD (GB) 2025-03-13 — — WO disclosed
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