SCHEMBL8495155

SCHEMBL8495155

COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H](N)CS)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.69
FNTB P49356 13/20 0.69
TDP1 Q9NUW8 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.60
PGGT1B P53609 5/20 0.56
GAA P10253 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
MAPK14 Q16539 1/20 0.46

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
SCHEMBL8368433 0.89 FNTA (0.69) FNTAFNTBTDP1PGGT1B
SCHEMBL25722631 0.83 FNTA (0.64) FNTAFNTBTDP1L3MBTL1PGGT1B
SCHEMBL29381983 0.82 FNTA (1.00) FNTAFNTBTDP1PGGT1B
SCHEMBL8586036 0.82 FNTA (1.00) FNTAFNTBTDP1PGGT1B
SCHEMBL6056511 0.82 FNTA (1.00) FNTAFNTBTDP1PGGT1B
SCHEMBL8365606 0.82 FNTA (1.00) FNTAFNTBTDP1PGGT1B
Hydrochloric Acid SCHEMBL8492805 0.81 FNTA (0.98) FNTAFNTBTDP1PGGT1B
Hydrochloric Acid SCHEMBL8492799 0.81 FNTA (0.98) FNTAFNTBTDP1PGGT1B
SCHEMBL29450593 0.81 FNTA (1.00) FNTAFNTBTDP1PGGT1B
Hydrochloric Acid SCHEMBL29686212 0.81 FNTA (0.98) FNTAFNTBTDP1PGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965539-A PEPTIDOMIMETICS; ANTI-CANCER DRUGS UNIVERISTY OF PITTSBURGH (US) 1999-10-12 US disclosed