SCHEMBL5166698

SCHEMBL5166698

CN(CC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
NR1H4 Q96RI1 6/20 0.48
EPHX2 P34913 6/20 0.48
ESRRG P62508 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
NR1I2 O75469 1/20 0.44

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
SCHEMBL6249120 0.94 MAPT (0.60) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL6249114 0.94 NR1H4 (0.54) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL6249909 0.93 MAPT (0.52) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL6248136 0.93 TMEM97 (0.46) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL5182136 0.93 MEN1 (0.55) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL5170362 0.92 SIGMAR1 (0.54) SIGMAR1TMEM97NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL5166526 0.91 SIGMAR1 (0.53) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL5167706 0.89 EPHX2 (0.57) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL5167827 0.88 MAPT (0.44) SIGMAR1TMEM97NPC1MAPTRAB9A
SCHEMBL5167787 0.88 MAPT (0.52) SIGMAR1TMEM97NPC1MAPTRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US claimed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP claimed
EP-1561744-B1 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEM IND INC (JP) 2007-04-18 EP disclosed
EP-1561744-A2 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEMICAL INDUSTRIES INC. (JP) 2005-08-10 EP disclosed
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US disclosed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP disclosed