SCHEMBL31073558

SCHEMBL31073558

CCCC(=O)c1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c(F)c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.83
▸ ALDH1A1 P00352 9/20 0.83
▸ TSHR P16473 4/20 0.83
▸ GAA P10253 3/20 0.81
▸ HTT P42858 3/20 0.81
▸ KDM4E B2RXH2 1/20 0.81
▸ MEN1 O00255 7/20 0.70
▸ KMT2A Q03164 7/20 0.70
▸ HPGD P15428 5/20 0.70
▸ RAB9A P51151 3/20 0.70
▸ LMNA P02545 3/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ NPC1 O15118 3/20 0.68
▸ POLB P06746 1/20 0.56

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
SCHEMBL31073597 0.89 MAPT (0.81) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073610 0.89 MAPT (0.80) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073560 0.84 MAPT (0.79) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073584 0.84 MAPT (0.69) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073609 0.82 MAPT (0.69) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073568 0.81 MAPT (0.64) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073613 0.81 MAPT (0.64) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073534 0.79 MAPT (0.66) MAPTALDH1A1TSHRGAAHTT
SCHEMBL16568714 0.79 NPC1 (1.00) MAPTALDH1A1TSHRGAAHTT
SCHEMBL31073606 0.79 MAPT (0.78) MAPTALDH1A1TSHRGAAHTT

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-2024172156-A1 COMPOUND HAVING BRASSINOSTEROID-LIKE ACTIVITY 国立大学法人東海国立大学機構 2024-08-22 — — WO disclosed
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