SCHEMBL21110979

SCHEMBL21110979

C[C@@]1(C(=O)O)C[C@H](NC(=O)OCc2ccccc2)CN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
TSHR P16473 2/20 0.49
EPHX1 P07099 1/20 0.46
HSD11B1 P28845 1/20 0.46
DPP4 P27487 5/20 0.44
DPP7 Q9UHL4 5/20 0.44
KCNH2 Q12809 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CYP3A4 P08684 1/20 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
SCHEMBL376380 0.87 ALDH1A1 (0.46) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL21110973 0.87 ALDH1A1 (0.46) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL20479732 0.82 TSHR (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL143841 0.81 ALDH1A1 (0.48) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL15415329 0.81 ALDH1A1 (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL146869 0.80 ALDH1A1 (0.49) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL6758979 0.79 ALDH1A1 (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL21946019 0.77 ALDH1A1 (0.60) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL21945750 0.77 ALDH1A1 (0.60) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL21945751 0.77 ALDH1A1 (0.60) ALDH1A1GAACTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508482-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2019-07-10 EP disclosed