SCHEMBL6247252

SCHEMBL6247252

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ESR2 Q92731 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
POLB P06746 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
SCHEMBL5167827 0.88 MAPT (0.44) MAPTLMNASMN1; SMN2TMEM97SIGMAR1
SCHEMBL5166710 0.86 SIGMAR1 (0.45) LMNATMEM97SIGMAR1EPHX2NR1H4
SCHEMBL5166068 0.84 NR1H4 (0.51) TMEM97SIGMAR1CA1CA2EPHX2
SCHEMBL5165638 0.83 NPC1 (0.45) MAPTLMNATMEM97SIGMAR1NPC1
SCHEMBL5167223 0.81 ESRRG (0.49) LMNATMEM97SIGMAR1ESR1ESR2
SCHEMBL5165543 0.79 MAOA (0.50) MAPTLMNATMEM97SIGMAR1RAB9A
SCHEMBL571045 0.79 CA12 (0.63) MAPTLMNASMN1; SMN2CA1CA2
Hydrochloric Acid SCHEMBL5168719 0.78 MAOA (0.51) LMNASMN1; SMN2TMEM97SIGMAR1RAB9A
SCHEMBL5166213 0.78 BCHE (0.47) MAPTLMNASMN1; SMN2
SCHEMBL5169157 0.78 MAOA (0.49) LMNATMEM97SIGMAR1EPHX2NR1H4

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 4 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-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