SCHEMBL624043

SCHEMBL624043

C=CC=CC(C=Cc1ccccc1)=C(C=CC#N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PLIN1 O60240 2/20 0.39
RECQL P46063 2/20 0.39
PLIN5 Q00G26 2/20 0.39
ABHD5 Q8WTS1 2/20 0.39
TNKS O95271 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL17746649 0.95 LMNA (0.39) GLATDP1LMNAALDH1A1MAPT
SCHEMBL8629641 0.88 ALDH1A1 (0.39) GLATDP1LMNAALDH1A1MAPT
SCHEMBL4878883 0.84 TDP1 (0.41) GLATDP1LMNAALDH1A1MAPT
SCHEMBL7644846 0.82 TDP1 (0.36) GLATDP1LMNAALDH1A1MAPT
Acrylonitrile SCHEMBL22656767 0.82 GLA (0.44) GLATDP1LMNAALDH1A1MAPT
SCHEMBL5613684 0.81 SMN1; SMN2 (0.34) GLATDP1LMNAALDH1A1MAPT
SCHEMBL8730748 0.81 GLA (0.42) GLATDP1LMNAALDH1A1MAPT
SCHEMBL461687 0.80 MAPT (0.37) GLATDP1LMNAALDH1A1MAPT
SCHEMBL1803176 0.79 CASP1 (0.39) GLATDP1LMNAALDH1A1MAPT
SCHEMBL11031369 0.78 KDM4E (0.35) GLATDP1LMNAALDH1A1MAPT

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
EP-3396736-B1 NEGATIVE ELECTRODE FOR LITHIUM METAL BATTERY, METHOD OF PREPARING NEGATIVE ELECTRODE, AND LITHIUM METAL BATTERY INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-09-23 EP claimed
EP-2478017-A1 COMPOSITION FOR A STRUCTURAL ADHESIVE Jacret (FR) 2012-07-25 EP claimed
WO-2011033002-A1 COMPOSITION FOR A STRUCTURAL ADHESIVE JACRET (FR) 2011-03-24 WO claimed
CN-114269543-A Method for preparing 3D object by fuse manufacturing method 巴斯夫欧洲公司 2022-04-01 CN disclosed
CN-111819313-A Filament based on a core material comprising a fibrous filler 巴斯夫欧洲公司 2020-10-23 CN disclosed
WO-2012020846-A1 RESIN COMPOSITION AND ELECTRICALLY INSULATING PART OBTAINED FROM THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-02-16 WO disclosed