SCHEMBL5512465

SCHEMBL5512465

O=C(O)CCCOc1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KMT2A Q03164 3/20 0.69
PTK2B Q14289 1/20 0.69
KDM4E B2RXH2 4/20 0.57
MEN1 O00255 2/20 0.57
HIF1A Q16665 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 3/20 0.53
RECQL P46063 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 2/20 0.50
CNR2 P34972 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49

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
SCHEMBL5514981 0.95 ALDH1A1 (0.67) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL5512491 0.93 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL19717846 0.93 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL2517739 0.93 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL5507668 0.91 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL212173 0.89 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BKDM4EMEN1
Sebacic Acid SCHEMBL3897460 0.88 KMT2A (0.67) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL8926671 0.87 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL29400029 0.87 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL571511 0.87 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
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
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed