SCHEMBL8979756

SCHEMBL8979756

CCCCC(=O)C(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
MME P08473 1/20 0.45
PTPN1 P18031 1/20 0.45
EGLN1 Q9GZT9 1/20 0.42
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
ESR2 Q92731 1/20 0.38
GBA1 P04062 1/20 0.38
UGCG Q16739 1/20 0.38
GBA2 Q9HCG7 1/20 0.38
LTB4R2 Q9NPC1 4/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
PPARA Q07869 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.36
OXTR P30559 1/20 0.36

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
SCHEMBL8315064 0.88 FFAR1 (0.54) FFAR1AKR1B1MMEPTPN1EGLN1
SCHEMBL2572010 0.87 MME (0.52) FFAR1AKR1B1MMEPTPN1ITGB1
SCHEMBL9248333 0.86 FFAR1 (0.48) FFAR1AKR1B1MMEPTPN1EGLN1
SCHEMBL9710320 0.84 MME (0.51) FFAR1AKR1B1MMEPTPN1ITGB1
SCHEMBL1895025 0.83 MME (0.46) FFAR1AKR1B1MMEPTPN1ITGB1
SCHEMBL633444 0.83 MME (0.48) FFAR1AKR1B1MMEPTPN1ITGB1
SCHEMBL8979799 0.83 LTB4R2 (0.53) LTB4R2AGTR1AGTR2ACHE
SCHEMBL9710577 0.83 MME (0.50) FFAR1AKR1B1MMEPTPN1ITGB1
SCHEMBL9710219 0.83 MME (0.50) FFAR1AKR1B1MMEPTPN1ITGB1
SCHEMBL8316083 0.82 MME (0.53) FFAR1AKR1B1MMEPTPN1EGLN1

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
US-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed