SCHEMBL3267641

SCHEMBL3267641

C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.CC(C(=O)O)=C(C)C1CCCCCCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HSD11B1 P28845 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.33
HSD11B2 P80365 1/20 0.33
SRD5A2 P31213 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4656363 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL464870 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27492024 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL479710 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2000689 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL157327 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL479450 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL479553 0.98 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL3788611 0.98 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27902117 0.93 CES2 (0.36) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725625-B1 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS GMBH (DE) 2010-06-16 EP claimed
EP-1725625-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF Coatings AG (DE) 2006-11-29 EP claimed
WO-2005056697-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS AG (DE) 2005-06-23 WO claimed
EP-1725625-B1 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS GMBH (DE) 2010-06-16 EP disclosed
EP-1725625-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF Coatings AG (DE) 2006-11-29 EP disclosed
WO-2005056697-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS AG (DE) 2005-06-23 WO disclosed