SCHEMBL13300799

SCHEMBL13300799

CC(C)(C)c1ccc(O)c(-n2n3c4ccc(C(=O)OCCN(CCOC(=O)c5ccc6c(c5)n5n(-c7cc(C(C)(C)C)ccc7O)n65)CCOC(=O)c5ccc6c(c5)n5n(-c7cc(C(C)(C)C)ccc7O)n65)cc4n23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ MAOA P21397 2/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ RAD52 P43351 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SCN1A P35498 3/20 0.35
▸ SCN2A Q99250 3/20 0.35
▸ SCN3A Q9NY46 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL13300814 0.95 SERPINE1 (0.34) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL13300774 0.92 KDM4E (0.39) LMNAPOLBKDM4EHDAC6ESR1
SCHEMBL13300775 0.89 SERPINE1 (0.39) LMNAPOLBKDM4EHDAC6ESR1
SCHEMBL13300785 0.88 KDM4E (0.36) LMNAPOLBKDM4EHDAC6ESR1
SCHEMBL13300778 0.86 SERPINE1 (0.44) LMNAPOLBKDM4EHDAC6KCNH2
SCHEMBL13300806 0.86 CA12 (0.36) LMNAPOLBKDM4EHDAC6KCNH2
SCHEMBL812950 0.85 POLB (0.34) LMNAPOLBKDM4EHDAC6ESR1
SCHEMBL13400030 0.85 KDM4E (0.34) LMNAPOLBKDM4EHDAC6ESR1
SCHEMBL13159278 0.85 POLB (0.34) LMNAPOLBKDM4EHDAC6ESR1
SCHEMBL13300820 0.83 CA12 (0.37) LMNAPOLBKDM4EKCNH2ESR1

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-20100137578-A1 CELLULOSE ESTER FILM FOR OPTICAL USE, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING SUCH CELLULOSE ESTER FILM FOR OPTICAL USE KONICA MINOLTA OPTO, INC. (JP) 2010-06-03 — — US disclosed
US-20100137578-A1 CELLULOSE ESTER FILM FOR OPTICAL USE, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING SUCH CELLULOSE ESTER FILM FOR OPTICAL USE KONICA MINOLTA OPTO, INC. (JP) 2010-06-03 — — US disclosed
Send feedback