SCHEMBL7369838

SCHEMBL7369838

N[C@@H](Cc1cccs1)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ CTSC P53634 12/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ FABP7 O15540 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18301502 0.78 KMT2A (0.40) KMT2AFABP7FABP5DPP4DPP8
SCHEMBL30341743 0.76 KMT2A (0.49) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL8064068 0.76 DPP4 (0.41) KMT2AFABP7FABP5DPP4EPHX2
SCHEMBL5035599 0.76 KMT2A (0.40) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL29171841 0.76 KMT2A (0.44) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL29171843 0.76 KMT2A (0.49) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL18986722 0.76 EPHX2 (0.42) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL15058849 0.75 KMT2A (0.55) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL9485155 0.75 KMT2A (0.43) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL598210 0.74 KMT2A (0.43) KMT2AFABP7FABP5EPHX2CA1

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
WO-1998042656-A1 NOVEL COMPOUNDS CYTEL CORPORATION (US) 1998-10-01 — — WO disclosed
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