SCHEMBL2134795

SCHEMBL2134795

CCCCCCCCCCCCCC(Cc1ccccn1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.47
FDPS P14324 1/20 0.43
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP2 P08253 7/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 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
SCHEMBL28080574 0.88 PTPRA (0.46) PTPRAFDPSHDAC6HPGDHSD17B10
SCHEMBL1532579 0.80 PTPRA (0.47) PTPRAFDPSHPGDHSD17B10ALDH1A1
SCHEMBL21770640 0.79 GRIN2D (0.44) PTPRAFDPSALOX12SMN1; SMN2
SCHEMBL29058174 0.79 GRIN2D (0.44) PTPRAFDPSALOX12SMN1; SMN2
SCHEMBL19732279 0.79 GRIN2D (0.44) PTPRAFDPSALOX12SMN1; SMN2
SCHEMBL10290433 0.79 HPGD (0.55) HPGDHSD17B10CYP1A2TSHRALDH1A1
SCHEMBL5017227 0.78 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL20209728 0.78 GRIN2D (0.42) PTPRAFDPSCYP1A2ALDH1A1ALOX12
SCHEMBL28211408 0.78 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL17686368 0.77 PTPRA (0.47) PTPRAFDPSHDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534510-B1 METHOD FOR ROLL-TO-ROLL DEPOSITION OF OPTICALLY TRANSPARENT AND HIGH CONDUCTIVITY METALLIC THIN FILMS STREAMING SALES LLC (US) 2012-04-25 EP claimed
EP-0301348-B1 SUBSTITUTED PYRIDYL ETHANOL AMINE, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANIMAL GROWTH PROMOTERS BAYER AG (DE) 1993-02-03 EP claimed