SCHEMBL29211495

SCHEMBL29211495

CCCCc1[c]ccc(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CNR2 P34972 1/20 0.33
TYR P14679 1/20 0.33
SKP2 Q13309 1/20 0.33
PTGS2 P35354 4/20 0.32
CYP3A4 P08684 2/20 0.32
PGR P06401 1/20 0.32
COMT P21964 1/20 0.32
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32

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
SCHEMBL677715 0.87 SKP2 (0.43) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1779587 0.85 SKP2 (0.34) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1775603 0.85 SKP2 (0.38) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL27495938 0.82 SKP2 (0.36) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1777578 0.82 PTGS2 (0.43) ALDH1A1HSD17B10PTGS2CYP3A4ESR1
SCHEMBL677464 0.81 PTGS2 (0.42) ALDH1A1HSD17B10PTGS2CYP3A4ESR1
SCHEMBL6875233 0.81 PTGS2 (0.43) ALDH1A1HSD17B10PTGS2CYP3A4ESR1
SCHEMBL15610595 0.80 LPL (0.38) ALDH1A1HSD17B10CNR2PTGS2CYP3A4
SCHEMBL1778966 0.80 PTGS2 (0.44) ALDH1A1HSD17B10PTGS2CYP3A4ESR1
SCHEMBL22264051 0.80 PTGS2 (0.41) ALDH1A1HSD17B10PTGS2CYP3A4ESR1

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-117999299-A Composition, adhesive and bonded body 电化株式会社 2024-05-07 CN disclosed