SCHEMBL27535481

SCHEMBL27535481

CCCCC(CC)CN(C(=O)c1ccccc1)c1ccc(F)[c]c1F.[Ti]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 2/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
ADRB2 P07550 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MLYCD O95822 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CNR2 P34972 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL27482133 0.83 MLYCD (0.43) ALDH1A1ADRB2MLYCDHDAC3HDAC1
SCHEMBL27482476 0.82 NPC1 (0.43) ALDH1A1ADRB2MLYCDCNR2HDAC1
SCHEMBL27497663 0.82 MLYCD (0.35) ALDH1A1MAPK1TSHRHTTMLYCD
SCHEMBL27481383 0.81 LMNA (0.34) ALDH1A1KDM4ELMNACYP3A4CA2
SCHEMBL27482844 0.79 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAMAPK1CYP3A4
SCHEMBL27481387 0.77 MLYCD (0.35) ALDH1A1TSHRADRB2MLYCDGAA
SCHEMBL27482469 0.77 RARB (0.36) ALDH1A1TSHRADRB2MLYCDGAA
SCHEMBL27498303 0.74 LMNA (0.33) ALDH1A1LMNACYP3A4CA2TSHR
SCHEMBL9306882 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPK1CYP3A4
SCHEMBL29479979 0.73 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215379-C Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2005-08-17 CN disclosed
CN-1425068-A Fungal transcriptional activator useful in methods of producing polypeptides NOVOZYMES AS (DK) 2003-06-18 CN disclosed
CN-1374559-A Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2002-10-16 CN disclosed