SCHEMBL20520372

SCHEMBL20520372

CC(C)c1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.74
NR4A2 P43354 8/20 0.74
NR4A1 P22736 2/20 0.70
JMJD7 P0C870 1/20 0.70
NR4A3 Q92570 1/20 0.70
NR1H4 Q96RI1 1/20 0.70

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
SCHEMBL28322345 0.88 DHODH (0.65) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL18118644 0.86 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL18118632 0.85 DHODH (0.77) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL253900 0.85 DHODH (0.80) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3915164 0.84 DHODH (0.76) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL21371586 0.84 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL31125351 0.84 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL247888 0.83 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL20520369 0.83 DHODH (0.72) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL29352865 0.83 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3

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
CN-110251498-A One kind adjusts active compound of Farnesoid X receptor and application thereof 厦门大学 2019-09-20 CN claimed
WO-2018177151-A1 COMPOUNDS MODULATING ACTIVITY OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-10-04 WO claimed