SCHEMBL9115185

SCHEMBL9115185

CC(C)[C@H](N)C(=O)NCCCNC(=O)[C@@H](N)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 4/20 0.46
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
FAP Q12884 1/20 0.45
SLC7A5 Q01650 1/20 0.42
RRM1 P23921 1/20 0.42
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1A3 P47895 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
ANPEP P15144 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL16559564 0.93 ALDH1A2 (0.50) DPP7DPP4DPP8DPP9FAP
SCHEMBL6129730 0.90 DPP7 (0.55) DPP7DPP4DPP8DPP9RRM1
SCHEMBL6129731 0.90 DPP7 (0.55) DPP7DPP4DPP8DPP9RRM1
SCHEMBL20750890 0.90 DPP7 (0.55) DPP7DPP4DPP8DPP9RRM1
SCHEMBL26352049 0.88 DPP7 (0.62) DPP7DPP4DPP8DPP9RRM1
SCHEMBL25488863 0.88 DPP7 (0.44) DPP7DPP4DPP8DPP9FAP
SCHEMBL7715038 0.86 DPP7 (0.61) DPP7DPP4DPP8DPP9RRM1
SCHEMBL7715546 0.86 DPP7 (0.61) DPP7DPP4DPP8DPP9RRM1
SCHEMBL18171394 0.86 DPP7 (0.61) DPP7DPP4DPP8DPP9RRM1
SCHEMBL4737412 0.86 ECE1 (0.47) DPP7DPP4DPP8DPP9FAP

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-5428180-A Oxidation of alkenes to epoxides THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-06-27 US disclosed
US-5126464-A Catalytic oxidation of alkenes THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-06-30 US disclosed
US-4987227-A EPOXIDATION CATALYSTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1991-01-22 US disclosed