SCHEMBL22102704

SCHEMBL22102704

Cc1c(Cl)cccc1CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.47
PTGER1 P34995 3/20 0.45
PTGER4 P35408 3/20 0.45
PTGER3 P43115 3/20 0.45
PTGER2 P43116 3/20 0.45
SLC22A12 Q96S37 2/20 0.45
AKR1B1 P15121 1/20 0.44
GPR17 Q13304 1/20 0.43
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
CASP6 P55212 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NOD2 Q9HC29 1/20 0.43
KEAP1 Q14145 1/20 0.42

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
SCHEMBL8661309 0.90 KDM4E (0.48) KDM4E
SCHEMBL28022825 0.87 IAPP (0.47) KDM4EPOLB
SCHEMBL30873948 0.81 NPSR1 (0.57) NPSR1FFAR1FFAR4PTGER1PTGER4
SCHEMBL1450886 0.81 NPSR1 (0.57) NPSR1FFAR1FFAR4PTGER1PTGER4
SCHEMBL11069661 0.81 AKR1B1 (0.57) AKR1B1
SCHEMBL4699564 0.81 TAAR1 (0.55) NPSR1FFAR1PTGER1PTGER4PTGER3
Ethane SCHEMBL10497410 0.81 FFAR1 (0.56) NPSR1FFAR1FFAR4PTGER1PTGER4
SCHEMBL455219 0.81 FFAR1 (0.59) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL30288127 0.81 FFAR1 (0.59) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL9997112 0.80 IAPP (0.51) NPSR1FFAR1FFAR4PTGER1PTGER4

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
WO-2020119592-A1 NOVEL THREE-RING FUSED STRUCTURE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 信达生物制药(苏州)有限公司 2020-06-18 WO disclosed