SCHEMBL11540959

SCHEMBL11540959

O=C1CC(O)C=C1CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTR2A P28223 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL11462482 0.75 DAO (0.32) DAO
SCHEMBL11688948 0.74 F13A1 (0.46) MAPTRXFP1
SCHEMBL11313085 0.70 GMNN (0.39) SMN1; SMN2MAPT
SCHEMBL14537334 0.68 DAO (0.41) NPC1TDP1DAO
SCHEMBL54347 0.67 HTR2A (0.70) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL29268834 0.65 HTR2A (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL9069707 0.65 HTR2A (0.75) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL10831414 0.65 HTR2A (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
Ammonia Solution, Strong SCHEMBL8817973 0.65 HTR2A (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL10354668 0.65 HTR2A (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6

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
US-4180672-A 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom TEIJIN LIMITED (JP) 1979-12-25 US disclosed