SCHEMBL7219654

SCHEMBL7219654

CCC1OC(C)(c2cccc(C)c2NC(=O)CCl)OC1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 3/20 0.40
SCN3A Q9NY46 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40
SCN4A P35499 1/20 0.40
MC3R P41968 1/20 0.40
HTR3A P46098 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
ALOX15 P16050 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
SCHEMBL7225138 0.88 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A
SCHEMBL7218182 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A
SCHEMBL7218518 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A
SCHEMBL7218471 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A
SCHEMBL7219261 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A
SCHEMBL7223109 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTSCN5A
SCHEMBL307790 0.75 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A
SCHEMBL7218270 0.72 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL30323772 0.71 POLB (0.61) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A
SCHEMBL6546027 0.71 POLB (0.61) SMN1; SMN2ALDH1A1LMNAMAPTSCN3A

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed