SCHEMBL9075008

SCHEMBL9075008

CCC(C)[C@@H](CN(CC(=O)O)Cc1cccc2ccccc12)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.51
FNTB P49356 3/20 0.51
NR1D1 P20393 1/20 0.43
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
BACE1 P56817 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
METAP2 P50579 4/20 0.36
MCL1 Q07820 1/20 0.36
METAP1 P53582 1/20 0.35

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
SCHEMBL8365981 1.00 FNTA (0.51) FNTAFNTBNR1D1MMEACE
SCHEMBL8329445 0.83 FNTA (0.59) FNTAFNTBNR1D1MMEACE
SCHEMBL8329449 0.83 FNTA (0.59) FNTAFNTBNR1D1MMEACE
SCHEMBL9074343 0.80 FNTA (0.66) FNTAFNTBNR1D1MMEACE
SCHEMBL8588406 0.80 FNTA (0.66) FNTAFNTBNR1D1MMEACE
SCHEMBL8328748 0.74 FNTA (0.56) FNTAFNTBNR1D1MMEACE
SCHEMBL8303881 0.74 FNTA (0.56) FNTAFNTBNR1D1MMEACE
SCHEMBL18942412 0.74 TDP1 (0.62) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL8334300 0.72 FNTA (0.61) FNTAFNTBNR1D1MMEACE
SCHEMBL8536367 0.71 CTSS (0.45) FNTAFNTBNR1D1PPARGPPARA

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-5576293-A TETRAPEPTIDES, ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-19 US disclosed
WO-1995009001-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 WO disclosed