SCHEMBL6671253

SCHEMBL6671253

C[C@@H]1CCCC[C@@]1(O)CCc1cc(CC2CCOCC2)cc2c(=O)c(C(=O)N(C)Cc3ccc(Cl)cc3)n[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.32
PDE7B Q9NP56 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6667531 0.84 NR1H4 (0.34) NR1H4SMN1; SMN2
SCHEMBL6666111 0.84 NR1H4 (0.37) NR1H4SMN1; SMN2
SCHEMBL7482403 0.84 NR1H4 (0.34) NR1H4SMN1; SMN2
SCHEMBL6672234 0.84 NR1H4 (0.34) NR1H4SMN1; SMN2
SCHEMBL6672672 0.77 NR1H4 (0.34) NR1H4SMN1; SMN2
SCHEMBL6696310 0.76 POLA1 (0.36) SMN1; SMN2
SCHEMBL6668749 0.76 NR1H4 (0.36) NR1H4SMN1; SMN2
SCHEMBL6672237 0.76 NR1H4 (0.33) NR1H4
SCHEMBL7477339 0.73 NR1H4 (0.35) NR1H4
SCHEMBL6672153 0.72 EPHX1 (0.33) SMN1; SMN2

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-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed