SCHEMBL7744239

SCHEMBL7744239

Cc1cccc(C=Cc2cccc3c2CCN(OC(=O)C(F)(F)F)C3)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.36
S1PR5 Q9H228 3/20 0.35
MAPT P10636 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
ALOX5 P09917 1/20 0.33
ABHD6 Q9BV23 3/20 0.33
CREBBP Q92793 2/20 0.33
BRD4 O60885 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
EP300 Q09472 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL7744238 1.00 NR1H3 (0.36) NR1H3S1PR5MAPTPTGS1PTGS2
SCHEMBL7743587 0.73 ABHD6 (0.55) S1PR5ABHD6
SCHEMBL2300549 0.69 ABHD6 (0.47) S1PR5ABHD6
SCHEMBL27594084 0.67 NPSR1 (0.39) MAPTALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL7737943 0.64 CARM1 (0.39) S1PR5ABHD6ALDH1A1
SCHEMBL7738236 0.63 ESR2 (0.43) ABHD6
SCHEMBL7745997 0.63 NR1H2 (0.54) MAPTABHD6BRD4
SCHEMBL7738243 0.63 ABHD6 (0.54) ABHD6
SCHEMBL1795132 0.60 PTGS1 (0.69) NR1H3MAPTPTGS1PTGS2ALOX5
SCHEMBL21847980 0.60 PTGS1 (0.69) NR1H3MAPTPTGS1PTGS2ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed