SCHEMBL21880307

SCHEMBL21880307

C=C(C)C(=O)OCCCc1ccc(N(c2ccc(CCCOC(=O)C(=C)C)cc2)c2ccc(C3(c4ccc(N(c5ccc(CCCOC(=O)C(=C)C)cc5)c5ccc(CCCOC(=O)C(=C)C)cc5)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 2/20 0.36
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
THRA P10827 1/20 0.34
MAPT P10636 1/20 0.34
PPARA Q07869 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL2602555 0.93 ADORA3 (0.39) TSHRADORA3POLBAPEX1HTT
SCHEMBL12680065 0.90 THRB (0.41) TSHRADORA3POLBAPEX1HTT
SCHEMBL2602534 0.90 ADORA3 (0.37) TSHRADORA3POLBAPEX1HTT
SCHEMBL2602480 0.89 CA1 (0.42) TSHRADORA3THRBAPOBEC3AAPOBEC3G
SCHEMBL15726790 0.88 ADORA3 (0.37) ADORA3APOBEC3AAPOBEC3GKDM4ELMNA
SCHEMBL20192387 0.86 ADORA3 (0.39) ADORA3THRBCA1CA2PPARA
SCHEMBL15726756 0.84 APOBEC3A (0.41) ADORA3APOBEC3AAPOBEC3GKDM4ELMNA
SCHEMBL15726792 0.84 APOBEC3A (0.41) ADORA3APOBEC3AAPOBEC3GKDM4ELMNA
SCHEMBL19645244 0.83 CA1 (0.38) ADORA3THRBAPOBEC3AAPOBEC3GKDM4E
SCHEMBL21880711 0.83 THRB (0.39) TSHRADORA3THRBAPOBEC3AAPOBEC3G

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
US-11175599-B2 Electrophotographic photoreceptor, manufacturing method of electrophotographic photoreceptor, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
US-20200096883-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, MANUFACTURING METHOD OF ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2020-03-26 US disclosed