SCHEMBL17049844

SCHEMBL17049844

C[C@@H]1CC[C@H](C(=O)O)C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
CYP1A2 P05177 4/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
HSD11B1 P28845 2/20 0.36
GRM4 Q14833 6/20 0.31
CYP2C19 P33261 4/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GRM8 O00222 2/20 0.31
GRM6 O15303 2/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL17040298 1.00 APLNR (0.38) APLNRCYP1A2SLC1A2SLC1A1HSD11B1
SCHEMBL17049843 1.00 APLNR (0.38) APLNRCYP1A2SLC1A2SLC1A1HSD11B1
SCHEMBL20657000 0.83 APLNR (0.41) APLNRCYP1A2SLC1A2SLC1A1HSD11B1
SCHEMBL11321445 0.83 GABRA1 (0.33) MEN1KMT2A
SCHEMBL16889156 0.81 EPHX1 (0.35) CYP1A2KMT2A
SCHEMBL17040334 0.79 ATM (0.37) CYP1A2CYP2C19TDP1TSHRALDH1A1
SCHEMBL2013971 0.78 APLNR (0.38) APLNRCYP1A2SLC1A2SLC1A1HSD11B1
SCHEMBL20818779 0.77 SLC1A2 (0.39) APLNRCYP1A2SLC1A2SLC1A1HSD11B1
SCHEMBL20818782 0.77 SLC1A2 (0.39) APLNRCYP1A2SLC1A2SLC1A1HSD11B1
SCHEMBL20818852 0.77 SLC1A2 (0.39) APLNRCYP1A2SLC1A2SLC1A1HSD11B1

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
US-9120785-B2 Pyridyl aminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-01 US disclosed