SCHEMBL9334682

SCHEMBL9334682

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.60
CTRB1 P17538 1/20 0.52
ACE P12821 1/20 0.52
KMT2A Q03164 1/20 0.51
ELANE P08246 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FKBP1A P62942 2/20 0.47
CMA1 P23946 1/20 0.46
REN P00797 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 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
SCHEMBL9334678 1.00 PREP (0.60) PREPCTRB1ACEKMT2AELANE
SCHEMBL21632875 0.95 PREP (0.55) PREPCTRB1ACEKMT2AELANE
SCHEMBL21632874 0.95 PREP (0.55) PREPCTRB1ACEKMT2AELANE
SCHEMBL31742552 0.95 PREP (0.55) PREPCTRB1ACEKMT2AELANE
SCHEMBL10629309 0.95 PREP (0.55) PREPCTRB1ACEKMT2AELANE
SCHEMBL9337656 0.93 PREP (0.59) PREPCTRB1ACEKMT2AELANE
SCHEMBL9337662 0.93 PREP (0.59) PREPCTRB1ACEKMT2AELANE
SCHEMBL29493136 0.90 ACE (0.55) PREPCTRB1ACEKMT2AELANE
SCHEMBL27809406 0.89 ACE (0.55) PREPCTRB1ACEELANECMA1
SCHEMBL7352448 0.88 KMT2A (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112941058-A Recombinant Clostridium histolyticum type-II collagenase as well as preparation method and application thereof 重庆科润生物医药研发有限公司 2021-06-11 CN disclosed
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