SCHEMBL31539841

SCHEMBL31539841

O=C(O)/C=C/c1cc2c(cnn2C2CCCCO2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ CYP4F2 P78329 3/20 0.41
▸ CYP4A11 Q02928 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MIF P14174 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATR Q13535 2/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ GPER1 Q99527 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
SCHEMBL29363930 0.81 RXRA (0.52) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539737 0.81 CYP4F2 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25391161 0.81 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14816269 0.81 RXRA (0.59) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30327596 0.81 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25247927 0.81 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14816270 0.81 RXRA (0.59) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539783 0.79 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539725 0.78 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21797086 0.77 RXRA (0.48) 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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