SCHEMBL9680371

SCHEMBL9680371

CC(C)(C)C(=O)OCOC(=O)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.37
DPP7 Q9UHL4 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
FAP Q12884 1/20 0.37
PRCP P42785 2/20 0.36
ENO1 P06733 1/20 0.36
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
TLR2 O60603 2/20 0.34
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
HTR2C P28335 1/20 0.33
SCN4A P35499 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL10553735 0.92 HTR2C (0.34) DPP4DPP7DPP8DPP9FAP
SCHEMBL2010421 0.87 NOS2 (0.42) DPP4DPP7DPP8DPP9FAP
SCHEMBL11247989 0.82 ALDH1A1 (0.38) LMNA
SCHEMBL11247988 0.82 ALDH1A1 (0.38) LMNA
SCHEMBL26116063 0.80 PRCP (0.40) DPP4DPP7DPP8DPP9FAP
SCHEMBL8815499 0.79 DPP4 (0.38) DPP4DPP7DPP8DPP9FAP
SCHEMBL10015337 0.79 DPP4 (0.36) DPP4DPP7DPP8DPP9FAP
SCHEMBL28238896 0.78 SLC18A2 (0.34) LMNACHRM2CHRM1
SCHEMBL133135 0.76 PRCP (0.45) DPP4DPP7DPP8DPP9FAP
SCHEMBL3330660 0.76 PRCP (0.45) DPP4DPP7DPP8DPP9FAP

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
EP-0272063-B1 MITOMYCIN DERIVATIVES KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-04-08 EP disclosed
EP-0138403-B1 PROCESS FOR PREPARING PHOSPHINIC ACID INTERMEDIATES E.R. Squibb & Sons, Inc. (US) 1989-03-15 EP disclosed
US-4602092-A Method for making phosphinic acid intermediates E. R. SQUIBB & SONS, INC. (US) 1986-07-22 US disclosed
EP-0138403-A2 Process for preparing phosphinic acid intermediates E.R. Squibb & Sons, Inc. (US) 1985-04-24 EP disclosed