SCHEMBL8601116

SCHEMBL8601116

COC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.57
MME P08473 1/20 0.56
ANPEP P15144 1/20 0.56
FNTA P49354 5/20 0.54
FNTB P49356 5/20 0.54
PGGT1B P53609 4/20 0.54
KMT2A Q03164 1/20 0.53
LTA4H P09960 1/20 0.53
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
Hydrochloric Acid SCHEMBL8763367 0.99 OPRK1 (0.56) OPRK1MMEANPEPFNTAFNTB
SCHEMBL11685692 0.91 MME (0.68) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL8213011 0.90 MME (0.59) OPRK1MMEANPEPFNTAFNTB
Hydrochloric Acid SCHEMBL11681328 0.90 MME (0.67) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL9510846 0.89 FNTA (0.66) FNTAFNTBPGGT1BKMT2ALTA4H
SCHEMBL2544520 0.89 FNTA (0.66) FNTAFNTBPGGT1BKMT2ALTA4H
SCHEMBL13093207 0.89 FNTA (0.66) FNTAFNTBPGGT1BKMT2ALTA4H
SCHEMBL4765841 0.89 FNTA (0.66) FNTAFNTBPGGT1BKMT2ALTA4H
SCHEMBL30051273 0.86 FNTA (0.63) FNTAFNTBPGGT1BKMT2ALTA4H
Hydrochloric Acid SCHEMBL11234310 0.86 KMT2A (0.57) MMEANPEPFNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840918-A PEPTIDOMIMETIC COMPOUNDS USEFUL IN THE TREATMENT OF RAS-ASSOCIATED HUMAN CANCERS EISAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0750609-A4 ISOPRENYL TRANSFERASE INHIBITORS EISAI CO LTD (JP) 1997-09-24 EP disclosed
EP-0750609-A1 ISOPRENYL TRANSFERASE INHIBITORS Eisai Co., Ltd. (JP) 1997-01-02 EP disclosed