SCHEMBL3775738

SCHEMBL3775738

C1=Cc2ccccc2C1=C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
ALOX15 P16050 3/20 0.42
CES1 P23141 2/20 0.42
IDO1 P14902 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
PTPRC P08575 1/20 0.42
THRB P10828 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42
RECQL P46063 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42

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
SCHEMBL11883313 0.81 SETD7 (0.61) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL9617411 0.77 LMNA (0.50) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL7721084 0.69 MEN1 (0.67) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL5504554 0.69 LMNA (0.43) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL7721082 0.69 MEN1 (0.67) ALDH1A1HSD17B10MEN1KMT2AMAPT
1,2-Naphthoquinone SCHEMBL28601611 0.68 PTPRC (0.87) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL11328700 0.66 TSHR (0.60) ALDH1A1HSD17B10MAPTHPGDBCHE
SCHEMBL3769766 0.66 MEN1 (0.55) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL9615989 0.65 MEN1 (0.50) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL15547406 0.65 ALDH1A1 (0.36) ALDH1A1HSD17B10MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed