SCHEMBL4133846

SCHEMBL4133846

CC[C@H](Oc1cc(C)ccc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
PPARA Q07869 4/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PPARG P37231 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14122192 1.00 SMN1; SMN2 (0.51) SMN1; SMN2POLBGAAPPARANPC1
SCHEMBL11212441 0.86 POLB (0.63) SMN1; SMN2POLBGAAPPARANPC1
SCHEMBL14121623 0.85 POLB (0.47) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL30300637 0.85 POLB (0.47) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL14121621 0.85 POLB (0.47) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL14122831 0.85 POLB (0.47) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL30300736 0.85 POLB (0.47) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL8935915 0.84 SMN1; SMN2 (0.62) SMN1; SMN2GAAPPARAPPARGPTGDR2
SCHEMBL8935907 0.84 SMN1; SMN2 (0.62) SMN1; SMN2GAAPPARAPPARGPTGDR2
SCHEMBL6863626 0.84 SMN1; SMN2 (0.49) SMN1; SMN2POLBGAAPPARANPC1

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
WO-2009005672-A1 ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES MERCK & CO., INC. (US) 2009-01-08 WO disclosed