SCHEMBL3732081

SCHEMBL3732081

CC1CCN(C(=O)O)C(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CPB1 P15086 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
TSHR P16473 1/20 0.47
TLR4 O00206 1/20 0.45
HSD11B1 P28845 1/20 0.44
EPHX1 P07099 1/20 0.44
DPP4 P27487 1/20 0.44
KCNH2 Q12809 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
PREP P48147 2/20 0.43

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
SCHEMBL29867697 0.87 KMT2A (0.45) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL31287332 0.85 PREP (0.49) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL17591736 0.82 CTSL (0.58) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL4443457 0.81 EPHX1 (0.53) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL28250701 0.81 ALDH1A1 (0.49) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL2552964 0.81 EPHX1 (0.55) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL16202690 0.80 ALDH1A1 (0.67) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL26477499 0.80 ALDH1A1 (0.67) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL16400506 0.79 CTSL (0.57) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL17174585 0.78 EPHX1 (0.61) ALDH1A1GAACPB1CTSLCTSB

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
EP-2139888-A2 IMIDAZOÝ1,2-A¨PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-01-06 EP disclosed
WO-2008121687-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-09 WO disclosed