SCHEMBL18487409

SCHEMBL18487409

C=CC1CCC1(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
FFAR3 O14843 1/20 0.36
PTPN1 P18031 3/20 0.35
NR1H3 Q13133 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL2935292 0.86 RXRA (0.39) RXRARXRBRXRGFFAR3PTPN1
SCHEMBL19285317 0.81 FFAR3 (0.37) FFAR3PTPN1NR1H3CYP2C19MAPK1
SCHEMBL8253502 0.78
SCHEMBL14032589 0.78
SCHEMBL12164500 0.78
SCHEMBL15097079 0.78
SCHEMBL12140915 0.78
SCHEMBL9462229 0.71 NR1H3 (0.30) PTPN1NR1H3
SCHEMBL20570308 0.69
SCHEMBL29646182 0.69

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
EP-2603555-B1 POLYMER FOAM TRISTANO PTY LTD (AU) 2017-02-15 EP claimed