SCHEMBL20898201

SCHEMBL20898201

O=C(CCCCCc1ccc2ccccc2c1)OC(=O)CCCCCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
MC5R P33032 6/20 0.54
MC4R P32245 5/20 0.54
MC1R Q01726 4/20 0.54
MC3R P41968 4/20 0.54
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NAAA Q02083 1/20 0.46
MAPK1 P28482 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
MTNR1A P48039 3/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
SOX18 P35713 1/20 0.43
MTNR1B P49286 2/20 0.42

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
SCHEMBL20897922 0.89 CYP1A2 (0.62) HDAC1HDAC8MC5RMC4RMC1R
SCHEMBL20898202 0.88 CYP1A2 (0.68) HDAC1HDAC8MC5RMC4RMC1R
SCHEMBL20898006 0.84 HDAC1 (0.62) HDAC1HDAC8CYP1A2CYP2D6CYP2C19
SCHEMBL20911139 0.82 CYP1A2 (0.56) HDAC1HDAC8MC5RMC4RMC1R
SCHEMBL20897624 0.81 FFAR1 (0.60) MC5RMC4RMC1RMC3RCYP1A2
Phenylbutanoic Acid SCHEMBL20897923 0.80 CYP1A2 (0.72) HDAC1HDAC8MC5RMC4RMC1R
SCHEMBL28789110 0.78 CYP1A2 (0.52) CYP1A2CYP2C19MTNR1A
SCHEMBL6898869 0.78 MTNR1A (0.49) CYP1A2MTNR1AFFAR1AKR1B1
SCHEMBL17578809 0.76 HDAC1 (0.65) HDAC1HDAC8CYP1A2NAAAHCAR2
SCHEMBL7831694 0.76 HDAC1 (0.60) HDAC1HDAC8CYP1A2NAAAHCAR2

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