SCHEMBL7897673

SCHEMBL7897673

COC(=O)CCC(NC(=O)c1ccc(OCc2ccccc2)cc1-c1ccccc1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KCNA3 P22001 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MAOB P27338 1/20 0.42
MAOA P21397 1/20 0.41
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY14 Q15391 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39

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
SCHEMBL7897668 0.80 FNTA (0.44) KCNA3BCL2L1MAOBMAOAPPARG
SCHEMBL7910059 0.75 FNTA (0.60) KMT2AFNTAFNTB
SCHEMBL7910060 0.75 FNTA (0.60) KMT2AFNTAFNTB
SCHEMBL7907270 0.75 FNTA (0.41) ALDH1A1MEN1KMT2AFNTAFNTB
SCHEMBL4460274 0.74 MAOB (0.57) ALDH1A1MAOBMAOAPPARGMEN1
SCHEMBL11593773 0.72 P2RY14 (0.60) ALDH1A1MAOBMAOAMEN1KMT2A
Hydrochloric Acid SCHEMBL9222328 0.71 P2RY14 (0.59) ALDH1A1MAOBMAOAMEN1KMT2A
SCHEMBL8973061 0.68 RAB9A (0.61) ALDH1A1MAOBPPARG
SCHEMBL6777951 0.68 FNTA (0.60) FNTAFNTB
SCHEMBL6777949 0.68 FNTA (0.60) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed