SCHEMBL5690953

SCHEMBL5690953

CCCCC1=CCCC=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP19A1 P11511 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
SCHEMBL30727634 0.94 CYP19A1 (0.36) HDAC1CHRM2CHRM5CHRM1CHRM3
SCHEMBL22268975 0.92 ACHE (0.35) HDAC1CHRM2CHRM4CHRM5CHRM1
SCHEMBL23920955 0.92 ACHE (0.35) HDAC1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7627177 0.86
SCHEMBL11580747 0.86 PSMB5 (0.34)
SCHEMBL11580750 0.86 PSMB5 (0.34)
SCHEMBL11580746 0.86 PSMB5 (0.34)
SCHEMBL22268940 0.82 MEN1 (0.34) HDAC1NPC1HPGDMAPK1HTT
SCHEMBL22268802 0.82 MEN1 (0.34) HDAC1NPC1HPGDMAPK1HTT
SCHEMBL22268803 0.82 MEN1 (0.34) HDAC1NPC1HPGDMAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023008248-A1 REACTIVE MATERIAL AND THIN FILM PRODUCTION METHOD 株式会社ADEKA 2023-02-02 WO disclosed
CN-108471746-A Substituted Dihydrobenzofuranes compound and its purposes as synergist 恩德拉股份公司 2018-08-31 CN disclosed
EP-1640405-A1 RESIN AND ARTICLE MOLDED THEREFROM TORAY INDUSTRIES, INC. (JP) 2006-03-29 EP disclosed