SCHEMBL20780665

SCHEMBL20780665

Cc1ccc(OC2CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
FFAR4 Q5NUL3 2/20 0.43
ACACB O00763 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
FPR2 P25090 4/20 0.39
PROKR1 Q8TCW9 4/20 0.39
GPR119 Q8TDV5 1/20 0.39
EPHX2 P34913 1/20 0.39
P2RX7 Q99572 2/20 0.37
SLC6A3 Q01959 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL18588604 0.89 PTGS1 (0.40) PTGS1PTGS2FFAR4ACACBHRH3
SCHEMBL169750 0.88 SYK (0.44) PTGS1PTGS2FFAR4ACACBHRH3
SCHEMBL12311918 0.87 HRH3 (0.51) PTGS1PTGS2ACACBHRH3FPR2
SCHEMBL16483442 0.85 HTR2C (0.46) PTGS1PTGS2FFAR4ACACBHRH3
SCHEMBL8251445 0.84 FFAR4 (0.38) PTGS1PTGS2FFAR4ACACBHRH3
SCHEMBL3128358 0.84 FFAR4 (0.38) PTGS1PTGS2FFAR4HRH3FPR2
SCHEMBL3126765 0.84 SLC6A2 (0.53) SLC6A3SLC6A2SLC6A4
SCHEMBL17282339 0.82 ACACB (0.44) FFAR4ACACBHRH3
SCHEMBL18295347 0.82 HTR2C (0.54) SLC6A2
SCHEMBL24716435 0.82 PTGS1 (0.46) PTGS1PTGS2FFAR4ACACBHRH3

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
WO-2023164250-A1 SEC61 INHIBITORS AND USE THEREOF KEZAR LIFE SCIENCES (US) 2023-08-31 WO disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed