SCHEMBL8842830

SCHEMBL8842830

O=C(O)c1[nH]nc(-c2ccc(C(F)(F)F)c(F)c2)c1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.47
CYP11B2 P19099 2/20 0.39
MAPK1 P28482 2/20 0.39
MAP2K4 P45985 2/20 0.39
MAPK6 Q16659 2/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP11B1 P15538 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL8842827 0.83 NOTUM (0.48)
SCHEMBL8842891 0.77 PIN1 (0.47) MAPK1MAP2K4MAPK6MAPKAPK3MAPKAPK5
SCHEMBL11007641 0.74 KIF11 (0.47) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL10957748 0.72 KIF11 (0.46) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL8842823 0.72 RAB9A (0.50) MAPK1MAP2K4MAPK6MAPKAPK3
SCHEMBL2118385 0.68 TRPV1 (0.45) KIF11CYP11B2CYP11B1
SCHEMBL2120061 0.68 KIF11 (0.45) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL21116892 0.67 KIF11 (0.76) KIF11CYP11B2CYP11B1
SCHEMBL27651907 0.67 KIF11 (0.49) KIF11CYP11B2CYP11B1
SCHEMBL12226968 0.66 KIF11 (0.51) KIF11CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674887-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
EP-0578477-B1 Treatment of inflammatory bowel disease LILLY CO ELI (US) 1996-06-19 EP disclosed
US-5436258-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1995-07-25 US disclosed
EP-0587378-A1 Prevention of bone resorption ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed
US-5294630-A Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
EP-0578477-A1 Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-01-12 EP disclosed