SCHEMBL902879

SCHEMBL902879

O=C(O)CC1CCC(C2=CC=C(c3ccc(C(=O)O)cn3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 2/20 0.42
P4HTM Q9NXG6 1/20 0.42
DGAT1 O75907 13/20 0.38
LDHA P00338 1/20 0.38
HCAR3 P49019 3/20 0.36

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
SCHEMBL902702 0.70 DGAT1 (0.47) DGAT1
SCHEMBL10188659 0.65 DGAT1 (0.56) DGAT1LDHA
SCHEMBL14822500 0.65 P4HA1 (0.59) P4HA1P4HTMLDHAHCAR3
SCHEMBL30590918 0.65 P4HA1 (0.59) P4HA1P4HTMLDHAHCAR3
SCHEMBL29683317 0.64 P4HTM (1.00) P4HA1P4HTMLDHAHCAR3
SCHEMBL29397057 0.64 P4HTM (1.00) P4HA1P4HTMLDHAHCAR3
SCHEMBL68560 0.64 P4HTM (1.00) P4HA1P4HTMLDHAHCAR3
SCHEMBL16749631 0.63 P4HA1 (0.79) P4HA1P4HTMLDHAHCAR3
Potassium SCHEMBL30900922 0.62 P4HTM (0.95) P4HA1P4HTMLDHAHCAR3
Hydrochloric Acid SCHEMBL8871610 0.62 P4HTM (0.95) P4HA1P4HTMLDHAHCAR3

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-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed