SCHEMBL5166068

SCHEMBL5166068

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.51
EPHX2 P34913 3/20 0.51
PTGES O14684 2/20 0.50
ALOX5 P09917 2/20 0.50
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
NR4A2 P43354 1/20 0.50
SRD5A2 P31213 1/20 0.50
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
RORC P51449 1/20 0.42
RXRG P48443 1/20 0.41
ESRRG P62508 1/20 0.41
LTA4H P09960 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL5166710 0.92 SIGMAR1 (0.45) NR1H4EPHX2PTGESALOX5TMEM97
SCHEMBL5165543 0.87 MAOA (0.50) NR1H4EPHX2PTGESALOX5TMEM97
SCHEMBL6249114 0.86 NR1H4 (0.54) NR1H4EPHX2PTGESALOX5RXRA
Hydrochloric Acid SCHEMBL5168719 0.86 MAOA (0.51) NR1H4EPHX2PTGESALOX5TMEM97
SCHEMBL5167223 0.86 ESRRG (0.49) NR1H4EPHX2NR4A2TMEM97SIGMAR1
SCHEMBL5165638 0.86 NPC1 (0.45) NR1H4EPHX2TMEM97SIGMAR1ESRRG
SCHEMBL6247252 0.84 MAPT (0.43) NR1H4EPHX2TMEM97SIGMAR1CA1
SCHEMBL5169412 0.83 NR1H4 (0.45) NR1H4EPHX2PTGESALOX5RXRA
SCHEMBL5169554 0.82 MAPT (0.48) NR1H4EPHX2TMEM97SIGMAR1
SCHEMBL5167523 0.82 EPHX2 (0.51) NR1H4EPHX2PTGESALOX5TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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