SCHEMBL30990549

SCHEMBL30990549

O=C(O)CCc1ccc(N(c2ccc(Br)cc2)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.59
FFAR4 Q5NUL3 5/20 0.59
KEAP1 Q14145 1/20 0.52
IDO1 P14902 1/20 0.51
PPARD Q03181 1/20 0.50
PDPK1 O15530 1/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL15078747 0.95 FFAR1 (0.58) FFAR1FFAR4KEAP1IDO1PPARD
SCHEMBL14732640 0.89 FFAR1 (0.67) FFAR1FFAR4KEAP1PPARDLMNA
SCHEMBL5455 0.89 FFAR1 (0.71) FFAR1FFAR4KEAP1IDO1PPARD
Hydrochloric Acid SCHEMBL6440989 0.87 FFAR1 (0.69) FFAR1FFAR4KEAP1IDO1PPARD
SCHEMBL25933402 0.85 FFAR1 (0.68) FFAR1FFAR4KEAP1SMN1; SMN2
SCHEMBL11437198 0.85 FFAR1 (0.68) FFAR1FFAR4KEAP1SMN1; SMN2
SCHEMBL14732629 0.84 FFAR1 (0.71) FFAR1FFAR4KEAP1PPARDSMN1; SMN2
SCHEMBL9495863 0.82 FFAR1 (0.65) FFAR1FFAR4KEAP1LMNAL3MBTL1
SCHEMBL17321106 0.81 FFAR1 (0.73) FFAR1FFAR4KEAP1
SCHEMBL279262 0.81 FFAR1 (0.73) FFAR1FFAR4KEAP1

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-118108743-A Near infrared two-region fluorescent molecule, nano targeting fluorescent probe, and preparation methods and applications thereof 复旦大学 2024-05-31 CN disclosed