SCHEMBL4775283

SCHEMBL4775283

O=C(O)C[C@H]1C[C@H](OCc2ccccc2)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.39
EPHX2 P34913 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GLA P06280 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
HTR2C P28335 1/20 0.38
BACE1 P56817 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL1584174 0.84 CTSL (0.42) AGTR2CTSLCTSBCTSKDRD2
Hydrochloric Acid SCHEMBL2146342 0.82 CTSL (0.41) CTSLCTSBCTSKDRD2DRD3
SCHEMBL2981071 0.82 CTSL (0.43) CTSLCTSBCTSKBCHEACHE
SCHEMBL14555331 0.82 CTSL (0.43) CTSLCTSBCTSKBCHEACHE
SCHEMBL24928599 0.81 DPP4 (0.44) CTSLCTSBCTSKBCHEACHE
SCHEMBL6238619 0.81 DPP4 (0.44) CTSLCTSBCTSKBCHEACHE
SCHEMBL5802417 0.79 CTSC (0.44) AGTR2EPHX2CTSLCTSBCTSK
SCHEMBL19249780 0.79 BCHE (0.52) CTSLCTSBCTSKBCHEACHE
SCHEMBL1006316 0.79 CTSC (0.44) AGTR2EPHX2CTSLCTSBCTSK
SCHEMBL13759699 0.79 BCHE (0.52) CTSLCTSBCTSKBCHEACHE

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-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP claimed
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP disclosed