SCHEMBL25030907

SCHEMBL25030907

C#CCNc1ccc(P(=O)(CC)CC)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ AHR P35869 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ INSR P06213 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL30184470 1.00 LMNA (0.35) LMNAHPGDHSD17B10HTTALDH1A1
SCHEMBL25033178 0.87 — —
SCHEMBL30184507 0.87 — —
SCHEMBL30871276 0.86 INSR (0.41) LMNAHPGDHSD17B10HTTALDH1A1
SCHEMBL25033063 0.86 INSR (0.41) LMNAHPGDHSD17B10HTTALDH1A1
SCHEMBL25033173 0.85 — —
SCHEMBL30184621 0.85 — —
SCHEMBL25033175 0.81 CA12 (0.33) MAPTMAOA
SCHEMBL30184460 0.81 CA12 (0.33) MAPTMAOA
SCHEMBL25033478 0.81 PDE4B (0.36) LMNAHPGDHSD17B10HTTALDH1A1

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
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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