SCHEMBL20898005

SCHEMBL20898005

O=C(O)CCCCCc1ccccc1.O=C(O)CCCCc1ccc2ccccc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.82
MAPT P10636 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72
HDAC1 Q13547 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
HDAC3 O15379 1/20 0.61
MAPK1 P28482 1/20 0.61
ADRA1A P35348 1/20 0.61
HDAC4 P56524 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61

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
SCHEMBL31156411 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439522 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL2536989 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439619 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL8434872 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL2107915 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL710798 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439620 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439755 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL29866085 0.97 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8

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