SCHEMBL25949567

SCHEMBL25949567

CC/C=C/C(=O)/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 16/20 0.67
RXRA P19793 7/20 0.67
RXRB P28702 6/20 0.67
NR4A1 P22736 4/20 0.67
NR4A3 Q92570 4/20 0.67
RXRG P48443 4/20 0.54
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.46
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL5733581 0.81 NR4A2 (1.00) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL25942529 0.81 NR4A2 (0.69) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL31582684 0.79 NR4A2 (0.74) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL30070243 0.79 NR4A2 (0.78) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL11450560 0.71 NR4A2 (0.65) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL9452888 0.71 NR4A2 (0.54) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL9452889 0.71 NR4A2 (0.54) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL9452920 0.70 NR4A2 (0.76) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL5504385 0.70 NR4A2 (0.64) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL13754893 0.70 NR4A2 (0.74) NR4A2RXRARXRBNR4A1NR4A3

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
WO-2023144326-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed
WO-2023143741-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed