SCHEMBL28966735

SCHEMBL28966735

C=C(C)c1cc(F)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
HRH4 Q9H3N8 1/20 0.37
TTR P02766 2/20 0.35
KEAP1 Q14145 1/20 0.34
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ANO1 Q5XXA6 1/20 0.32

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
SCHEMBL18070543 0.85 TTR (0.35) TTR
SCHEMBL29712378 0.83 CES2 (0.38) CES2CES1HRH4TTRKEAP1
SCHEMBL16952267 0.83 CES2 (0.40) CES2CES1TTRKEAP1CA3
SCHEMBL21207989 0.80 CES2 (0.41) CES2CES1HRH4KEAP1CA3
SCHEMBL31448305 0.79 CES2 (0.47) CES2CES1TTRKEAP1ANO1
SCHEMBL21510606 0.79 CES2 (0.38) CES2CES1TTRKEAP1CA3
SCHEMBL2584947 0.79 CES2 (0.47) CES2CES1TTRKEAP1ANO1
SCHEMBL16950532 0.79 CES2 (0.34) CES2CES1KEAP1
SCHEMBL11042341 0.78 CES2 (0.56) CES2CES1HRH4KEAP1CA3
SCHEMBL16953500 0.78 CES2 (0.36) CES2CES1TTRKEAP1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 CN claimed
CN-115745805-A Synthetic method of phenanthrene and naphthocycloheptene compounds 南通大学 2023-03-07 CN claimed
CN-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 CN disclosed
CN-115745805-A Synthetic method of phenanthrene and naphthocycloheptene compounds 南通大学 2023-03-07 CN disclosed