SCHEMBL27601154

SCHEMBL27601154

CCOP(=O)(CC(O)Cc1ccc(F)c(CN)c1)OCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
PARP1 P09874 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4998782 0.84 MAPK1 (0.38) MAPK1MAPTHPGDALOX15TSHR
SCHEMBL28752198 0.77 PARP1 (0.33) MAPK1MAPTPARP1POLBBACE1
SCHEMBL13725745 0.67 GABRR1 (0.52) MAPK1MAPTTSHRPOLB
SCHEMBL5071677 0.67 THRA (0.37) MAPK1MAPT
SCHEMBL15317935 0.67 TSHR (0.48) MAPK1MAPTHPGDALOX15TSHR
SCHEMBL15032899 0.66 TSHR (0.52) MAPK1MAPTTSHRPOLB
SCHEMBL27703412 0.65 POLB (0.38) MAPTCYP2C19TSHRNPSR1POLB
SCHEMBL27407292 0.65 CYP4F2 (0.54) BACE1ALDH1A1
SCHEMBL27663597 0.65 LOXL2 (0.48) PARP1
SCHEMBL16825119 0.64 ALDH1A1 (0.38) MAPTHPGDTSHRPOLBALDH1A1

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
CN-1476429-A EP4 receptor selective agonists in treatment of osteoporosis �Ʒ� 2004-02-18 CN disclosed