SCHEMBL28322345

SCHEMBL28322345

Cc1cc(-c2cccc(C(C)C)c2)ccc1NC(=O)C1=C(C(=O)O)CCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.65
NR4A2 P43354 7/20 0.58
JMJD7 P0C870 1/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48

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
SCHEMBL20520372 0.88 DHODH (0.74) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL20520370 0.86 DHODH (0.70) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL20520373 0.82 DHODH (0.68) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL28323372 0.82 DHODH (0.80) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3915678 0.80 DHODH (0.65) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL18118632 0.75 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253264 0.75 DHODH (0.79) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3917207 0.74 DHODH (0.63) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL18118644 0.72 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253900 0.72 DHODH (0.80) 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 1 patent. 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