SCHEMBL22360814

SCHEMBL22360814

CNC(=O)C(CCC=O)N1Cc2ccc(OCCCCCCCN)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.40
▸ ITGA2B P08514 8/20 0.40
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ SDCBP O00560 1/20 0.34
▸ SDC2 P34741 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL23729693 0.81 THRB (0.37) MAPTTHRBGAAPOLBKDM4E
SCHEMBL27318856 0.80 NPC1 (0.42) MAPTTHRBGAAPOLBSDCBP
SCHEMBL24294314 0.79 THRB (0.43) MAPTTHRBGAAPOLBKDM4E
SCHEMBL24294534 0.79 THRB (0.43) MAPTTHRBGAAPOLBKDM4E
SCHEMBL24421373 0.79 SDCBP (0.42) MAPTTHRBGAAPOLBSDCBP
SCHEMBL27121640 0.77 MAPT (0.34) ITGB3ITGA2BMAPTTHRBGAA
SCHEMBL27115950 0.77 THRB (0.35) MAPTTHRBGAAPOLBSDCBP
SCHEMBL21621851 0.76 THRB (0.41) MAPTTHRBGAAPOLBSDCBP
SCHEMBL27124438 0.76 KDM4E (0.38) ITGB3ITGA2BTHRBGAAPOLB
SCHEMBL23482963 0.75 MAPT (0.39) MAPTTHRBGAAPOLBSDCBP

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-2020168172-A1 CONJUGATE COMPOUNDS FOR THE DEGRADATION OF RAF ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-08-20 — — WO disclosed
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