SCHEMBL13857065

SCHEMBL13857065

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.39
TRPV1 Q8NER1 1/20 0.37
TSHR P16473 1/20 0.36
SLC13A5 Q86YT5 2/20 0.35
MAOB P27338 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13857067 0.78 SLC13A5 (0.48) HRH3TRPV1SLC13A5NPC1POLB
SCHEMBL31001663 0.76 CYP4F2 (0.51) TSHRSLC13A5
SCHEMBL15198883 0.72 CYP4F2 (0.42) TSHRCYP2C9RAB9A
SCHEMBL13073364 0.72 NPC1 (0.48) TSHRNPC1RAB9A
SCHEMBL16394651 0.72 LMNA (0.39) HRH3TRPV1NPC1RAB9A
SCHEMBL22122650 0.72 AKR1B10 (0.50) TSHRMAOBNPC1CYP2C9RAB9A
SCHEMBL837877 0.72 TSHR (0.38) TSHRRAB9A
SCHEMBL15179714 0.71 CHRM2 (0.37) SLC13A5NPC1POLBRAB9A
SCHEMBL15179703 0.71 SLC13A5 (0.36) TSHRSLC13A5CYP2C9RAB9A
SCHEMBL19007780 0.70 TSHR (0.50) TSHRNPC1RAB9A

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