SCHEMBL10956644

SCHEMBL10956644

COc1ccc(C(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.74
▸ LMNA P02545 2/20 0.74
▸ KMT2A Q03164 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ HTT P42858 2/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ CRHBP P24387 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ CRHR2 Q13324 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ FNTA P49354 3/20 0.58
▸ FNTB P49356 3/20 0.58
▸ LDHA P00338 3/20 0.57
▸ LDHB P07195 3/20 0.57
▸ TACR1 P25103 1/20 0.55

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
SCHEMBL10954626 0.89 LMNA (0.86) GAALMNAKMT2AMEN1HTT
SCHEMBL10951751 0.85 LMNA (1.00) GAALMNAKMT2AMEN1HTT
SCHEMBL10949698 0.85 TACR1 (0.59) GAALMNAKMT2AMEN1HTT
SCHEMBL10948604 0.84 LMNA (0.78) GAALMNAKMT2AMEN1HTT
SCHEMBL10946494 0.84 MEN1 (0.80) GAALMNAKMT2AMEN1HTT
SCHEMBL10953096 0.83 LMNA (0.76) GAALMNAKMT2AMEN1HTT
SCHEMBL10955012 0.83 TACR1 (0.59) GAALMNAFNTAFNTBLDHA
SCHEMBL10952823 0.83 LMNA (0.76) GAALMNAKMT2AMEN1HTT
SCHEMBL10954049 0.83 LMNA (0.76) GAALMNAKMT2AMEN1HTT
SCHEMBL14826369 0.82 LMNA (1.00) GAALMNAKMT2AMEN1HTT

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-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 — — US claimed
Send feedback