SCHEMBL4432460

SCHEMBL4432460

O=CC(c1ccccc1)C(C=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
SRC P12931 2/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL31672185 0.87 CYP2D6 (0.42) CYP2D6SRCDPP4F2TSHR
SCHEMBL3503957 0.85 CYP2D6 (0.41) CYP2D6SRCALDH1A1LMNAKMT2A
SCHEMBL7219233 0.85 CYP2D6 (0.46) CYP2D6SRCTSHRALDH1A1LMNA
SCHEMBL12950125 0.83 CYP2D6 (0.39) CYP2D6SRCALDH1A1LMNAKMT2A
SCHEMBL12950121 0.83 CYP2D6 (0.39) CYP2D6SRCALDH1A1LMNAKMT2A
SCHEMBL7488096 0.83 CYP2D6 (0.39) CYP2D6SRCDPP4F2TSHR
SCHEMBL14640471 0.81 ADRA2A (0.48) CYP2D6DPP4F2ALDH1A1LMNA
SCHEMBL28423174 0.81 LMNA (0.43) CYP2D6TSHRALDH1A1LMNAMAPK1
SCHEMBL11637537 0.81 TSHR (0.42) CYP2D6TSHRALDH1A1LMNAKMT2A
SCHEMBL28420846 0.81 TAAR1 (0.42) CYP2D6SRCLMNAKMT2AHTR2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-108210682-A A kind of promoting blood circulation medicine puree and preparation method for treating Osteoarthritis 黄建民 2018-06-29 CN disclosed
CN-106748680-B A kind of preparation method of phenylacetaldehyde 盐城市春竹香料有限公司 2018-05-01 CN disclosed
EP-3307231-A1 FRAGRANCE COMPOSITIONS AND USES THEREOF The Procter and Gamble Company (US) 2018-04-18 EP disclosed
EP-3307393-A1 FRAGRANCE COMPOSITION The Procter and Gamble Company (US) 2018-04-18 EP disclosed
EP-3307394-A1 FRAGRANCE FIXATIVES AND COMPOSITIONS COMPRISING THEREOF The Procter and Gamble Company (US) 2018-04-18 EP disclosed
CN-106748680-A A kind of preparation method of phenylacetaldehyde 盐城市春竹香料有限公司 2017-05-31 CN disclosed
WO-2016205301-A1 FRAGRANCE FIXATIVES AND COMPOSITIONS COMPRISING THEREOF THE PROCTER & GAMBLE COMPANY (US) 2016-12-22 WO disclosed
WO-2016200759-A1 FRAGRANCE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2016-12-15 WO disclosed
WO-2016200760-A1 FRAGRANCE COMPOSITIONS AND USES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2016-12-15 WO disclosed
CN-102495163-A Establishing method and use of flue-cured tobacco GC/MS fingerprint Yunnan Tobacco Leaf Company 2012-06-13 CN disclosed
EP-2115153-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2009-11-11 EP disclosed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1576108-A4 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2008-01-09 EP disclosed
US-20070256252-A1 Fabric Treatment for Stain Release CASELLA VICTOR M 2007-11-08 US disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed