SCHEMBL8303881

SCHEMBL8303881

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.56
FNTB P49356 3/20 0.56
NR1D1 P20393 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CYP3A4 P08684 3/20 0.37
KLK5 Q9Y337 1/20 0.36
ATM Q13315 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL8328748 1.00 FNTA (0.56) FNTAFNTBNR1D1CTSSCTSK
SCHEMBL8650522 0.93 FNTA (0.51) FNTAFNTBNR1D1CTSSCTSK
SCHEMBL8329449 0.92 FNTA (0.59) FNTAFNTBNR1D1CTSSCTSK
SCHEMBL8329445 0.92 FNTA (0.59) FNTAFNTBNR1D1CTSSCTSK
Methionine SCHEMBL8334298 0.89 FNTA (0.63) FNTAFNTBNR1D1CTSSCTSK
SCHEMBL8368594 0.83 FNTA (0.72) FNTAFNTBCTSSCTSKCYP3A4
SCHEMBL8333486 0.83 FNTA (0.72) FNTAFNTBCTSSCTSKCYP3A4
SCHEMBL8333489 0.83 FNTA (0.72) FNTAFNTBCTSSCTSKCYP3A4
SCHEMBL8334300 0.82 FNTA (0.61) FNTAFNTBNR1D1CTSSCTSK
SCHEMBL8389642 0.80 FNTA (0.44) FNTAFNTBNR1D1MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
EP-0787123-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-13 EP disclosed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed
EP-0787123-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-08-06 EP disclosed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 US disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 WO disclosed
US-5523456-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-06-04 US disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996010011-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed