SCHEMBL2234618

SCHEMBL2234618

CC1CCCC(C(=O)O)(C(=O)O)C1(C)I

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
FFAR3 O14843 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL28991822 0.80 FFAR3 (0.36) CYP1A2FFAR3LMNAPOLBMAPK1
SCHEMBL3482927 0.76 CYP1A2 (0.35) CYP1A2FFAR3
SCHEMBL28859979 0.74 CYP1A2 (0.36) CYP1A2FFAR3LMNAPOLBMAPK1
SCHEMBL2277283 0.71 FFAR3 (0.39) CYP1A2FFAR3LMNAMAPK1TP53
SCHEMBL2277288 0.71 FFAR3 (0.39) CYP1A2FFAR3LMNAMAPK1TP53
SCHEMBL2277287 0.71 FFAR3 (0.39) CYP1A2FFAR3LMNAMAPK1TP53
SCHEMBL5184842 0.69 CYP1A2 (0.31) CYP1A2
SCHEMBL988593 0.69 CYP1A2 (0.38) CYP1A2FFAR3LMNAMAPK1TP53
Hydrochloric Acid SCHEMBL1632919 0.68 ARG1 (0.44) CYP1A2
SCHEMBL2183074 0.68 POLB (0.33) CYP1A2FFAR3LMNAPOLB

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
EP-2536776-A2 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM -HYDROXY FATTY ACIDS Synthezyme LLC (US) 2012-12-26 EP disclosed
WO-2011103193-A2 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM ω-HYDROXY FATTY ACIDS SYNTHEZYME LLC (US) 2011-08-25 WO disclosed