SCHEMBL29018552

SCHEMBL29018552

O=C(O)CCc1ccc(/C(=C(\c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.59
PDPK1 O15530 1/20 0.59
KEAP1 Q14145 1/20 0.58
FFAR4 Q5NUL3 5/20 0.56
PPARD Q03181 1/20 0.55
SRD5A2 P31213 1/20 0.53
GPR52 Q9Y2T5 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 1/20 0.49

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
SCHEMBL29018554 1.00 FFAR1 (0.59) FFAR1PDPK1KEAP1FFAR4PPARD
SCHEMBL5455 0.86 FFAR1 (0.71) FFAR1PDPK1KEAP1FFAR4PPARD
Hydrochloric Acid SCHEMBL6440989 0.84 FFAR1 (0.69) FFAR1PDPK1KEAP1FFAR4PPARD
SCHEMBL658810 0.81 PDPK1 (0.64) FFAR1PDPK1KEAP1FFAR4GPR52
SCHEMBL4138253 0.80 SRD5A2 (0.75) FFAR1KEAP1FFAR4SRD5A2
SCHEMBL15078747 0.79 FFAR1 (0.58) FFAR1PDPK1KEAP1FFAR4PPARD
SCHEMBL67641 0.78 ALDH1A1 (0.53) MEN1KMT2A
SCHEMBL27437689 0.78 ALDH1A1 (0.53) MEN1KMT2A
SCHEMBL67640 0.78 ALDH1A1 (0.53) MEN1KMT2A
SCHEMBL12331161 0.78 ALDH1A1 (0.53) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283913-B Aggregation-induced fluorescence probe with multi-targeting response, fingerprint developer and application of aggregation-induced fluorescence probe in fingerprint imaging 华中科技大学 2024-12-17 CN disclosed
CN-116283913-A Aggregation-induced fluorescence probe with multi-targeting response, fingerprint developer and application of aggregation-induced fluorescence probe in fingerprint imaging 华中科技大学 2023-06-23 CN disclosed