SCHEMBL29200478

SCHEMBL29200478

Cc1cc(OCc2ccccc2)c(N(C)CC(=O)O)c(F)c1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.44
▸ KEAP1 Q14145 9/20 0.43
▸ NFE2L2 Q16236 9/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL26095806 0.78 MAPT (0.49) FFAR4MRGPRX4MAOBRXRARXRB
SCHEMBL31285263 0.78 KEAP1 (0.39) FFAR4KEAP1NFE2L2MRGPRX4
SCHEMBL8761479 0.74 MAPT (0.51) FFAR4MRGPRX4MAOBRXRARXRB
SCHEMBL31285324 0.71 BRD4 (0.41) FFAR4MRGPRX4MCL1
SCHEMBL29621948 0.70 MAPT (0.56) FFAR4MAOBRXRARXRBRXRG
SCHEMBL10252960 0.70 RXRA (0.57) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL19667514 0.70 MCL1 (0.56) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL29200479 0.69 FFAR4 (0.44) FFAR4KEAP1NFE2L2MRGPRX4RXRA
SCHEMBL31643595 0.69 RXRA (0.49) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL31405064 0.69 MAPT (0.50) FFAR4MRGPRX4MAOBRXRARXRB

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-117658947-A 5- (substituted aryl) -1,2, 5-thiadiazolin-3-one compounds with protein tyrosine phosphatase inhibiting effect 杭州中美华东制药有限公司 2024-03-08 — — CN disclosed
Send feedback