SCHEMBL6432088

SCHEMBL6432088

c1ccc(CC2OC(Cc3ccccc3)OC(Cc3ccccc3)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CALM1 P0DP23 1/20 0.43
GBA1 P04062 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
CTRB1 P17538 1/20 0.39
TSHR P16473 2/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL873745 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CALM1GBA1
SCHEMBL3100127 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3GBA1TAAR1
SCHEMBL3100122 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3GBA1TAAR1
SCHEMBL25836448 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3GBA1TAAR1
SCHEMBL56215 0.79 TAAR1 (0.41) SLC6A2SLC6A4SLC6A3CALM1GBA1
SCHEMBL31231840 0.78 TLR9 (0.47) SLC6A2SLC6A4SLC6A3CALM1GBA1
SCHEMBL5269537 0.77 GBA1 (0.42) SLC6A2SLC6A4SLC6A3GBA1TAAR1
SCHEMBL22722 0.77 GBA1 (0.42) SLC6A2SLC6A4SLC6A3GBA1TAAR1
SCHEMBL11277296 0.77 TLR9 (0.43) SLC6A2SLC6A4SLC6A3CALM1GBA1
SCHEMBL3617768 0.77 MAOB (0.44) CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62019547-A None JP disclosed
US-7927756-B2 Redox fuel cell using methanol FUJITSU LIMITED (JP) 2011-04-19 US disclosed
EP-1345879-B1 METHOD FOR STABILISING PHENYLACETALDEHYDE SYMRISE GMBH & CO KG (DE) 2005-09-21 EP disclosed
EP-1345879-A1 METHOD FOR STABILISING PHENYLACETALDEHYDE Symrise GmbH & Co. KG (DE) 2003-09-24 EP disclosed
US-6624330-B2 Method for stabilizing phenylacetaldehyde HAARMANN & REIMER GMBH (DE) 2003-09-23 US disclosed
US-6531469-B1 Treatment of myocardial ischemia, chronic stable angina, unstable angina and prinzmetal's angina attacks, silent cardiac ischemia, reinfarction, reocclusion and restenosis PIERRE FABRE MEDICAMENT (FR) 2003-03-11 US disclosed
US-20020128518-A1 Method for stabilizing phenylacetaldehyde SYMRISE AG (DE) 2002-09-12 US disclosed
WO-2002046135-A1 METHOD FOR STABILISING PHENYLACETALDEHYDE HAARMANN & REIMER GMBH (DE) 2002-06-13 WO disclosed
JP-S6219547-A PRODUCTION OF PHENYLACETALDEHYDE ACETAL TOYOTAMA KORYO KK 1987-01-28 JP disclosed