SCHEMBL22906777

SCHEMBL22906777

CNC(=O)C(CCC=O)N1Cc2cc(N3CCNCC3)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.43
▸ ITGA2B P08514 4/20 0.43
▸ ITGA2 P17301 1/20 0.43
▸ ABHD6 Q9BV23 1/20 0.36
▸ THRB P10828 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ MEF2D Q14814 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL26847910 0.93 ITGB3 (0.49) ITGB3ITGA2BITGA2ABHD6THRB
SCHEMBL24207225 0.92 ALOX15 (0.38) THRBGAAKDM4EALOX15POLB
SCHEMBL24421185 0.88 ITGB3 (0.35) ITGB3ITGA2BITGA2THRBGAA
SCHEMBL23984162 0.88 ITGB3 (0.39) ITGB3ITGA2BITGA2THRBGAA
SCHEMBL21983039 0.87 ITGB3 (0.39) ITGB3ITGA2BITGA2ABHD6KDM4E
SCHEMBL21480827 0.87 ITGB3 (0.39) ITGB3ITGA2BITGA2ABHD6KDM4E
SCHEMBL23983490 0.87 ITGB3 (0.36) ITGB3ITGA2BTHRBGAAKDM4E
SCHEMBL20231892 0.87 ITGB3 (0.41) ITGB3ITGA2BITGA2ABHD6THRB
SCHEMBL24421199 0.86 THRB (0.36) THRBGAAKDM4EALOX15POLB
SCHEMBL22907292 0.85 THRB (0.33) THRBGAAKDM4EALOX15POLB

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 — — WO disclosed
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