SCHEMBL4720867

SCHEMBL4720867

COCc1onc(-c2ccc(Cl)cc2)c1CC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.42
GABRA5 P31644 9/20 0.41
PTGS2 P35354 1/20 0.37
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 1/20 0.35
CYP3A7 P24462 1/20 0.35
CYP2F1 P24903 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2J2 P51589 1/20 0.35

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
SCHEMBL4971629 0.86 PTGS1 (0.43) GABRA5PTGS2
SCHEMBL4791287 0.83 FFAR4 (0.47) FFAR4GABRA5PTGS2CYP1A1CYP1A2
SCHEMBL4722402 0.81 FFAR4 (0.41) FFAR4GABRA5PTGS2CYP1A1CYP1A2
SCHEMBL5744413 0.79 GABRA5 (0.49) FFAR4GABRA5GPBAR1
SCHEMBL4761148 0.77 FFAR4 (0.44) FFAR4GABRA5PTGS2CYP1A2CYP3A4
SCHEMBL4720864 0.75 LMNA (0.46) FFAR4GABRA5PTGS2CYP1A1CYP1A2
SCHEMBL3641902 0.74 FFAR4 (0.50) FFAR4GABRA5PTGS2GPBAR1
SCHEMBL4721188 0.74 LMNA (0.51) FFAR4GABRA5CYP1A1CYP1A2CYP2E1
SCHEMBL436228 0.73 FFAR4 (0.47) FFAR4PTGS2CYP1A1CYP1A2CYP2E1
SCHEMBL4974872 0.71 PTGS2 (0.58) FFAR4GABRA5PTGS2CYP1A1CYP1A2

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-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO disclosed