SCHEMBL5514739

SCHEMBL5514739

O=C(O)CCCNc1ccccc1OCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SRD5A2 P31213 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ACLY P53396 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL5513638 0.92 ALDH1A1 (0.52) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL5515782 0.91 ALDH1A1 (0.54) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL5524144 0.91 ALDH1A1 (0.54) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL5515496 0.86 ALDH1A1 (0.57) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL2677328 0.84 CHRM2 (0.60) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL3197597 0.84 NPSR1 (0.59) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL3214613 0.82 KMT2A (0.56) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL5509441 0.82 THRB (0.50) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL14055 0.81 CYP2C19 (0.55) MEN1KMT2AHIF1ACYP2C19ALDH1A1
SCHEMBL8162444 0.79 CYP2C19 (0.63) MEN1KMT2ACYP2C19ALDH1A1HTT

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
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed