SCHEMBL20520371

SCHEMBL20520371

COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(Cl)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.82
NR4A2 P43354 6/20 0.77
JMJD7 P0C870 1/20 0.77
NR4A1 P22736 1/20 0.77
NR4A3 Q92570 1/20 0.77
NR1H4 Q96RI1 1/20 0.77

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
SCHEMBL3915232 0.90 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL28323372 0.88 DHODH (0.80) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL503290 0.88 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL247888 0.87 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL29352865 0.87 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL28974266 0.86 DHODH (0.98) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL19417216 0.86 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3914031 0.84 DHODH (0.78) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL18109121 0.82 DHODH (0.89) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253352 0.82 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3

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