SCHEMBL12358438

SCHEMBL12358438

CCC(C)(C)c1ccc(-c2nc3ccc(-c4ccc5nc(C(C)C)[nH]c5c4)cc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.46
▸ TRPV1 Q8NER1 3/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.44
▸ SCD O00767 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AAK1 Q2M2I8 3/20 0.44
▸ SCN10A Q9Y5Y9 2/20 0.44
▸ DGAT1 O75907 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43

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
SCHEMBL12404648 0.85 SCN10A (0.54) KDM4ELMNAHSD17B10SCN10AKCNH2
SCHEMBL12693436 0.84 NPBWR1 (0.49) NPBWR1TRPV1HDAC6SCDKDM4E
SCHEMBL13536940 0.83 NPBWR1 (0.49) NPBWR1TRPV1HDAC6SCDKDM4E
SCHEMBL12306902 0.82 SCD (0.47) NPBWR1TRPV1HDAC6SCDKDM4E
SCHEMBL23056250 0.77 HDAC6 (0.73) HDAC6KDM4ELMNAHSD17B10
SCHEMBL12018356 0.77 LMNA (0.49) KDM4ELMNAHSD17B10SCN10A
SCHEMBL19292362 0.75 HDAC6 (0.46) NPBWR1TRPV1HDAC6SCDKDM4E
SCHEMBL2705606 0.74 KDM4E (0.65) KDM4ELMNAHSD17B10AAK1SCN10A
SCHEMBL12693442 0.74 CYP3A4 (0.53) SCDKDM4ELMNAHSD17B10AAK1
SCHEMBL12693441 0.74 HDAC3 (0.42) NPBWR1TRPV1HDAC6KDM4ELMNA

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-20110189581-A1 COMPOUND, CROSS-LINKED MATERIAL THEREOF, DOUBLE CROSS-LINKED POLYMER THEREOF, AND ELECTROLYTE MEMBRANE, ELECTRODE FOR FUEL CELL AND FUEL CELL INCLUDING SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-08-04 — — US disclosed
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