SCHEMBL16130210

SCHEMBL16130210

CCC(C)C(=O)Oc1ccc(C(C)(C)c2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.44
TAS1R1 Q7RTX1 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
VDR P11473 1/20 0.39
RORC P51449 1/20 0.38
CYP19A1 P11511 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
ATM Q13315 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
SCHEMBL15925520 0.88 VDR (0.39) TAS1R3TAS1R1L3MBTL1KMT2AVDR
SCHEMBL10353905 0.88 VDR (0.39) KMT2AVDRRORCPOLBAPEX1
SCHEMBL13708508 0.87 VDR (0.40) KMT2AVDRRORCPOLBAPEX1
SCHEMBL13988702 0.86 VDR (0.40) KMT2AVDRRORCPOLBAPEX1
SCHEMBL15417138 0.80 TAS1R3 (0.42) TAS1R3TAS1R1L3MBTL1KMT2AMEN1
SCHEMBL2608608 0.79 TSHR (0.47) HTTCYP19A1
SCHEMBL12445352 0.78 L3MBTL1 (0.42) TAS1R3TAS1R1L3MBTL1KMT2AMEN1
SCHEMBL16298983 0.78 ALOX15 (0.41) KMT2AMEN1HTTVDRRORC
SCHEMBL10015729 0.77 TSHR (0.46) HTTCYP19A1
SCHEMBL11925426 0.77 VDR (0.42) TAS1R3TAS1R1L3MBTL1HTTVDR

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
US-8846282-B2 Phthalocyanine crystal, and electrophotographic photoreceptor, electrophotographic photoreceptor cartridge and image-forming device using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2014-09-30 US disclosed