SCHEMBL9846022

SCHEMBL9846022

CCCCC(=O)C(CCc1ccc(-c2ccccc2C#N)cc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
LTB4R2 Q9NPC1 7/20 0.41
PPARG P37231 2/20 0.41
MME P08473 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.39
BRS3 P32247 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
AGTR1 P30556 3/20 0.39
AGTR2 P50052 1/20 0.39
ESR2 Q92731 1/20 0.38
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL1895025 0.90 MME (0.46) FFAR1AKR1B1LTB4R2PPARGMME
SCHEMBL27962068 0.83 MME (0.47) FFAR1AKR1B1PPARGMMEGRIA2
SCHEMBL1370358 0.83 MME (0.47) FFAR1AKR1B1PPARGMMEGRIA2
SCHEMBL633444 0.81 MME (0.48) FFAR1AKR1B1LTB4R2PPARGMME
SCHEMBL7060674 0.81 TDP1 (0.49)
SCHEMBL9845999 0.81 FFAR1 (0.41) FFAR1MMETSHR
SCHEMBL2572010 0.81 MME (0.52) FFAR1AKR1B1LTB4R2PPARGMME
SCHEMBL1892549 0.80 MME (0.50) FFAR1AKR1B1PPARGMMEGRIA2
SCHEMBL9846013 0.79 TSHR (0.36) FFAR1AKR1B1LTB4R2PPARGMME
SCHEMBL9253966 0.78 MME (0.47) FFAR1AKR1B1PPARGMMEGRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed