SCHEMBL5772921

SCHEMBL5772921

O=C(O)CCc1cnoc1-c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.53
RXRB P28702 5/20 0.53
NR4A2 P43354 4/20 0.53
FFAR1 O14842 4/20 0.46
RXRG P48443 2/20 0.44
ATM Q13315 1/20 0.42
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL5774926 0.84 TP53 (0.44) RXRARXRBNR4A2FFAR1RXRG
SCHEMBL5770707 0.84 RXRA (0.53) RXRARXRBNR4A2FFAR1RXRG
SCHEMBL5774472 0.81 RXRA (0.50) RXRARXRBNR4A2FFAR1RXRG
SCHEMBL5774165 0.80 ATM (0.39) RXRARXRBNR4A2ATMPTPN2
SCHEMBL5774948 0.78 FFAR1 (0.51) RXRARXRBNR4A2FFAR1RXRG
SCHEMBL5772923 0.77 TSHR (0.55) RXRARXRBFFAR1RXRGPOLB
SCHEMBL5773868 0.77 RXRA (0.53) RXRARXRBNR4A2FFAR1RXRG
SCHEMBL5773615 0.76 RXRA (0.56) RXRARXRBNR4A2FFAR1RXRG
SCHEMBL5773925 0.75 FFAR1 (0.44) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3165982 0.75 ALDH1A1 (0.47) RXRARXRBNR4A2ATMPTPN2

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
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US claimed