SCHEMBL13857067

SCHEMBL13857067

CCC(C)(C)c1ccc(CCC(C)(C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.48
CYP2C9 P11712 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HRH3 Q9Y5N1 9/20 0.39
VDR P11473 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL22921420 0.86 SLC13A5 (0.50) SLC13A5CYP2C9HDAC3HDAC4HDAC1
SCHEMBL3092088 0.81 PPARA (0.51) SLC13A5HDAC1HDAC8
SCHEMBL29314248 0.80 SLC13A5 (0.46) SLC13A5CYP2C9HDAC3HDAC4HDAC1
SCHEMBL861913 0.79 RXRA (0.55) TRPV1
SCHEMBL25996884 0.79 SLC13A5 (0.45) SLC13A5CYP2C9HDAC3HDAC4HDAC1
SCHEMBL15496714 0.79 PPARA (0.48) SLC13A5CYP2C9NPC1RAB9ACYP1A2
SCHEMBL30080837 0.78 CYP1A2 (0.51) SLC13A5CYP2C9NPC1POLBRAB9A
SCHEMBL173883 0.78 CYP1A2 (0.51) SLC13A5CYP2C9NPC1POLBRAB9A
SCHEMBL13857065 0.78 HRH3 (0.39) SLC13A5CYP2C9NPC1POLBRAB9A
SCHEMBL24440172 0.77 GRM2 (0.50) SLC13A5

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-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
US-20090118436-A1 Star Polymer and Method of Producing the Same NIPPON SODA CO., LTD. (JP) 2009-05-07 US disclosed