SCHEMBL20898006

SCHEMBL20898006

O=C(CCCCCc1ccccc1)OC(=O)CCCCc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HDAC8 Q9BY41 1/20 0.62
CYP1A2 P05177 2/20 0.61
HCAR2 Q8TDS4 1/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NAAA Q02083 1/20 0.52
PDPK1 O15530 1/20 0.50
MGLL Q99685 1/20 0.48
ALOX5 P09917 1/20 0.48
HDAC2 Q92769 1/20 0.48
FFAR1 O14842 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
FAAH O00519 3/20 0.47
CES1 P23141 3/20 0.47

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
SCHEMBL20898005 0.87 CYP1A2 (0.82) HDAC1HDAC8CYP1A2HCAR2MAPT
SCHEMBL10623470 0.86 MAPT (0.69) HDAC1HDAC8MAPTRXFP1MGLL
SCHEMBL11578613 0.86 MAPT (0.69) HDAC1HDAC8MAPTRXFP1MGLL
SCHEMBL7655514 0.86 MAPT (0.69) HDAC1HDAC8MAPTRXFP1MGLL
SCHEMBL8790943 0.84 MAPT (0.66) HDAC1HDAC8MAPTRXFP1ALOX5
SCHEMBL20898201 0.84 HDAC1 (0.54) HDAC1HDAC8CYP1A2HCAR2NAAA
SCHEMBL2536989 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2HCAR2MAPT
SCHEMBL10439620 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2HCAR2MAPT
SCHEMBL2107915 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2HCAR2MAPT
SCHEMBL10439619 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2HCAR2MAPT

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
EP-4294878-A1 COATING COMPOSITION COMPRISING A PIGMENT PASTE COMPRISING AN ORGANIC PIGMENT AND AN ARYL-MODIFIED BRANCHED REACTION PRODUCT BASF Coatings GmbH (DE) 2023-12-27 EP disclosed
WO-2019072553-A1 HYPERBRANCHED POLYMERS FOR ORGANIC PIGMENT DISPERSIONS AND WATER-SENSITIVE PIGMENTS BASF COATINGS GMBH (DE) 2019-04-18 WO disclosed