SCHEMBL30778250

SCHEMBL30778250

C=CCCC(O)(C#Cc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ KIF11 P52732 4/20 0.33
▸ VCP P55072 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HRH1 P35367 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
SCHEMBL29159290 0.90 MAPT (0.53) MAPTKMT2AALDH1A1FFAR1TSHR
SCHEMBL30778221 0.87 MAPT (0.48) MAPTALDH1A1KIF11FFAR1TSHR
SCHEMBL30778220 0.86 MAPT (0.43) MAPTMEN1KMT2AALDH1A1KIF11
SCHEMBL30778194 0.86 MAPT (0.43) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30778243 0.86 MAPT (0.44) MAPTKIF11FFAR1GRM5
SCHEMBL30778219 0.84 MAPT (0.54) MAPTALDH1A1POLBNR1H2
SCHEMBL29088637 0.83 MEN1 (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL29159293 0.82 MAPT (0.39) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL30778253 0.81 MAPT (0.47) MAPT
SCHEMBL30778209 0.81 MAPT (0.47) MAPTMEN1KMT2AALDH1A1NR1H2

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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