Sugi Predict

Sugi Predict / Compounds / SCHEMBL8333489

SCHEMBL8333489

SCHEMBL8333489

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.72
▸ FNTB P49356 4/20 0.72
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 0.37
▸ PSENEN Q9NZ42 2/20 0.37

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
SCHEMBL8368594 1.00 FNTA (0.72) FNTAFNTBCTSSCTSKKLK5
SCHEMBL8333486 1.00 FNTA (0.72) FNTAFNTBCTSSCTSKKLK5
SCHEMBL8331060 0.90 FNTA (0.91) FNTAFNTBKLK7CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL8365955 0.88 FNTA (0.66) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8369181 0.88 FNTA (0.66) FNTAFNTBCYP2C9CYP3A4CYP2C19
SCHEMBL9074343 0.88 FNTA (0.66) FNTAFNTBCYP2C9CYP3A4CYP2C19
SCHEMBL8588406 0.88 FNTA (0.66) FNTAFNTBCYP2C9CYP3A4CYP2C19
SCHEMBL9074244 0.88 FNTA (0.68) FNTAFNTBCYP2C9CYP3A4CYP2C19
SCHEMBL9074248 0.88 FNTA (0.68) FNTAFNTBCYP2C9CYP3A4CYP2C19
SCHEMBL9070336 0.88 FNTA (0.63) FNTAFNTBKLK5KLK7PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783318-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-20 — — EP disclosed
EP-0787123-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-13 — — EP disclosed
EP-0725650-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 — — 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-0783318-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 — — EP disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 — — EP disclosed
US-5576293-A TETRAPEPTIDES, ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-19 — — US disclosed
EP-0725650-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-08-14 — — EP disclosed
US-5523456-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-06-04 — — US disclosed
WO-1996010011-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed
WO-1996009836-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed
WO-1995009001-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 — — WO disclosed