SCHEMBL28987801

SCHEMBL28987801

C=C(C)c1cc(C(F)(F)F)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ PDE2A O00408 3/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ MTOR P42345 1/20 0.34
▸ SORT1 Q99523 2/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ PTPN5 P54829 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
SCHEMBL16960591 0.85 CES2 (0.44) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16956715 0.81 CES2 (0.39) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17141748 0.79 MEN1 (0.43) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16961328 0.79 CES2 (0.40) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28415313 0.78 CES2 (0.42) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14533723 0.78 JAK2 (0.47) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18611579 0.77 CES2 (0.44) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28412823 0.76 CES2 (0.41) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL532092 0.76 ALDH1A1 (0.58) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20259156 0.75 CES2 (0.40) CES2KDM4EALDH1A1HPGDHSD17B10

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 3 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-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 — — CN disclosed
CN-114835622-A N-tert-butyl protection-3-substituted indole compound and preparation method thereof 常州大学 2022-08-02 — — CN disclosed
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