SCHEMBL29159295

SCHEMBL29159295

C=CCCC(O)(C#Cc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ AHR P35869 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
SCHEMBL29159293 0.76 MAPT (0.39) MAPTKMT2ACYP1A2KDM4EALDH1A1
SCHEMBL29159290 0.76 MAPT (0.53) MAPTKMT2ACYP1A2KDM4EALDH1A1
SCHEMBL30778234 0.75 PTGDR2 (0.35) MAPTALDH1A1
SCHEMBL30778204 0.75 MAPT (0.35) MAPTALDH1A1
SCHEMBL27713185 0.74 ALDH1A1 (0.33) MAPTKMT2ACYP1A2KDM4EALDH1A1
SCHEMBL30778255 0.71 MAPT (0.45) MAPTKMT2AKDM4EALDH1A1CYP2D6
SCHEMBL30778194 0.70 MAPT (0.43) MAPTKMT2AALDH1A1POLBMEN1
SCHEMBL30778250 0.70 MAPT (0.47) MAPTKMT2AKDM4EALDH1A1POLB
SCHEMBL30778220 0.70 MAPT (0.43) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL30778243 0.70 MAPT (0.44) MAPTCYP1A2CYP2D6

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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