SCHEMBL9337656

SCHEMBL9337656

COC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.59
CTRB1 P17538 1/20 0.52
ACE P12821 1/20 0.52
FAP Q12884 3/20 0.51
KMT2A Q03164 1/20 0.50
ELANE P08246 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
REN P00797 1/20 0.48
FKBP1A P62942 2/20 0.47

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
SCHEMBL9337662 1.00 PREP (0.59) PREPCTRB1ACEFAPKMT2A
SCHEMBL9334682 0.93 PREP (0.60) PREPCTRB1ACEKMT2AELANE
SCHEMBL9334678 0.93 PREP (0.60) PREPCTRB1ACEKMT2AELANE
SCHEMBL21632875 0.89 PREP (0.55) PREPCTRB1ACEFAPKMT2A
SCHEMBL10629309 0.89 PREP (0.55) PREPCTRB1ACEFAPKMT2A
SCHEMBL21632874 0.89 PREP (0.55) PREPCTRB1ACEFAPKMT2A
SCHEMBL31742552 0.89 PREP (0.55) PREPCTRB1ACEFAPKMT2A
SCHEMBL30881918 0.87 PREP (0.53) PREPCTRB1ACEFAPKMT2A
SCHEMBL27809406 0.87 ACE (0.55) PREPCTRB1ACEELANEREN
SCHEMBL10954651 0.86 CTRB1 (0.68) PREPCTRB1KMT2AALDH1A1CYP3A4

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
EP-0249434-B1 Peptide derivatives and processes for their preparation VYZK USTAV FARM BIOCHEM SP (CZ) 1994-05-04 EP disclosed
US-4898930-A Peptide derivatives and processes for their preparation SPOFA, SPOJENE PODNIKY PRO (CS) 1990-02-06 US disclosed
EP-0249434-A2 Peptide derivatives and processes for their preparation Vyzkumny ustav pro farmacii a biochemii (CZ) 1987-12-16 EP disclosed