SCHEMBL2563173

SCHEMBL2563173

COCCC(C)(CCCO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
ARG2 P78540 2/20 0.36
ARG1 P05089 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
PPARA Q07869 1/20 0.33
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
POLB P06746 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
SCHEMBL181323 0.85 TSHR (0.46) CYP4F2CYP4A11ARG2ARG1CYP2D6
SCHEMBL11415606 0.81 TSHR (0.42) CYP4F2CYP4A11ARG2ARG1CYP2D6
SCHEMBL7611294 0.81 TSHR (0.42) CYP4F2CYP4A11ARG2ARG1CYP2D6
SCHEMBL354517 0.79 CYP4F2 (0.56) CYP4F2CYP4A11TSHRPPARA
SCHEMBL11435514 0.77 TSHR (0.42) CYP4F2CYP4A11ARG2ARG1CYP2D6
SCHEMBL12801895 0.75 CYP4F2 (0.41) CYP4F2CYP4A11ARG2ARG1CYP2D6
SCHEMBL11417008 0.75 CYP4F2 (0.41) CYP4F2CYP4A11ARG2ARG1CYP2D6
SCHEMBL28387319 0.74 CYP4F2 (0.44) CYP4F2CYP4A11ARG2ARG1CYP2D6
SCHEMBL5963133 0.74 CYP2C19 (0.62) CYP4F2CYP4A11ARG2CYP2D6TSHR
SCHEMBL9550771 0.73 TDP1 (0.35) CYP4F2CYP4A11ARG2CYP2D6TSHR

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-2560976-A1 FUROPYRIDINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2013-02-27 EP disclosed
WO-2011131709-A1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-10-27 WO disclosed