SCHEMBL3723734

SCHEMBL3723734

CC(C)Nc1ccc(O)cn1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.58
DEGS1 O15121 14/20 0.49
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL3535964 0.80 DEGS1 (0.50) HCAR3DEGS1
SCHEMBL3535967 0.80 DEGS1 (0.50) HCAR3DEGS1
SCHEMBL6921057 0.77 HCAR3 (0.55) HCAR3
SCHEMBL19023405 0.76
SCHEMBL13249613 0.75 HCAR3 (0.53) HCAR3PDE10A
SCHEMBL20350367 0.75 HCAR3 (0.53) HCAR3PDE10A
SCHEMBL12243807 0.75 HCAR3 (0.53) HCAR3DEGS1PDE10A
SCHEMBL8002428 0.75 FDPS (0.56) HCAR3
SCHEMBL4476961 0.75 HCAR3 (0.53) HCAR3PDE10A
SCHEMBL29581129 0.75 HCAR3 (0.53) HCAR3PDE10A

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed