SCHEMBL30778204

SCHEMBL30778204

C=CCCC(O)(C#Cc1ccccc1F)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MME P08473 1/20 0.30
▸ ECE1 P42892 1/20 0.30

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
SCHEMBL30778234 0.84 PTGDR2 (0.35) MAPTALDH1A1TSHRPTGDR2HTT
SCHEMBL29159290 0.81 MAPT (0.53) MAPTALDH1A1TSHRHTT
SCHEMBL30778194 0.81 MAPT (0.43) MAPTALDH1A1TSHRHTT
SCHEMBL30778246 0.78 MAPT (0.47) MAPTALDH1A1HTT
SCHEMBL29159304 0.76 MAPT (0.47) MAPTALDH1A1TSHR
SCHEMBL30778250 0.76 MAPT (0.47) MAPTALDH1A1TSHRHTT
SCHEMBL30778220 0.76 MAPT (0.43) MAPTALDH1A1TSHRHTT
SCHEMBL30778196 0.75 ALDH1A1 (0.34) MAPTALDH1A1TSHRHTT
SCHEMBL30778217 0.73 TSHR (0.39) MAPTALDH1A1TSHRHTT
SCHEMBL30778209 0.73 MAPT (0.47) MAPTALDH1A1TSHRPTGDR2HTT

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
CN-117603027-A Olefin difunctional method and delta-trifluoromethyl ketone product prepared by same 重庆理工大学 2024-02-27 — — CN disclosed
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