SCHEMBL28067688

SCHEMBL28067688

COC(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.56
CTRB1 P17538 1/20 0.56
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CMA1 P23946 10/20 0.55
KLK5 Q9Y337 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
YAP1 P46937 1/20 0.54
REN P00797 1/20 0.52
GAA P10253 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
SCHEMBL28067687 1.00 ACE (0.56) ACECTRB1ATML3MBTL1CMA1
SCHEMBL3165695 0.92 CMA1 (0.63) ACECTRB1ATMCMA1KLK5
SCHEMBL21748404 0.92 CMA1 (0.63) ACECTRB1ATMCMA1KLK5
SCHEMBL3825215 0.92 CMA1 (0.63) ACECTRB1ATMCMA1KLK5
SCHEMBL3165688 0.92 CMA1 (0.63) ACECTRB1ATMCMA1KLK5
SCHEMBL20781286 0.91 KMT2A (0.51) ACECTRB1CMA1MEN1KMT2A
SCHEMBL18577421 0.90 ALDH1A1 (0.55) ACECTRB1CMA1MEN1KMT2A
SCHEMBL18577419 0.90 ALDH1A1 (0.55) ACECTRB1CMA1MEN1KMT2A
SCHEMBL18609373 0.90 ALDH1A1 (0.55) ACECTRB1CMA1MEN1KMT2A
SCHEMBL18577417 0.90 ALDH1A1 (0.55) ACECTRB1CMA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107497485-B Water-phase asymmetric Aldol reaction catalyst and preparation method and application thereof 石家庄学院 2020-04-17 CN disclosed
CN-105622717-A Six cyclic dipeptides used for wound healing GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-06-01 CN disclosed