SCHEMBL29159293

SCHEMBL29159293

C=CCCC(O)(C#Cc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ ASIC3 Q9UHC3 2/20 0.34
▸ ACACB O00763 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 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
SCHEMBL30778255 0.87 MAPT (0.45) MAPTASIC3ALDH1A1KDM4EMEN1
SCHEMBL29159290 0.85 MAPT (0.53) MAPTALDH1A1KDM4ECYP3A4KMT2A
SCHEMBL30778220 0.82 MAPT (0.43) MAPTALDH1A1KDM4EMEN1ALOX12
SCHEMBL30778250 0.82 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL30778194 0.82 MAPT (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30778243 0.81 MAPT (0.44) MAPTCYP3A4CYP1A2
SCHEMBL29159288 0.81 MAPT (0.41) MAPTTDP1
SCHEMBL30778221 0.77 MAPT (0.48) MAPTALDH1A1TP53CYP3A4TDP1
SCHEMBL30778246 0.76 MAPT (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30778253 0.76 MAPT (0.47) MAPT

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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