SCHEMBL18549036

SCHEMBL18549036

O=C(C1=CCCCC1)C1CCCCC1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.44
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CCR2 P41597 1/20 0.40
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CTSK P43235 1/20 0.37
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX1 P07099 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 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
SCHEMBL9577685 0.78 HDAC2 (0.50) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL15759686 0.77 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL6268542 0.76 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL9033169 0.71 HDAC2 (0.47) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL4104945 0.68
SCHEMBL324368 0.68 HDAC2 (0.61) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL7158482 0.68 HDAC2 (0.43) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL28078408 0.67 HDAC2 (0.46) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL29035906 0.66 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL28986665 0.66 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035044-B2 Golf balls incorporating regenerating-type multi-functional antioxidants ACUSHNET COMPANY (US) 2018-07-31 US disclosed
US-20170050086-A1 GOLF BALLS INCORPORATING REGENERATING-TYPE MULTI-FUNCTIONAL ANTIOXIDANTS ACUSHNET COMPANY (US) 2017-02-23 US disclosed