SCHEMBL28520689

SCHEMBL28520689

CC(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)no1.CC(=O)c1cc(C(=O)O)no1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.66
CYP2B6 P20813 2/20 0.66
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SCD5 Q86SK9 17/20 0.61
SCD O00767 9/20 0.58

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
SCHEMBL22619813 0.97 CYP2C8 (0.70) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL22619639 0.84 CYP2C8 (0.70) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL22619796 0.83 CYP2C8 (0.69) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL21535951 0.82 SCD5 (0.87) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL24784090 0.82 SCD5 (0.68) CYP2C8CYP2B6SCD5SCD
SCHEMBL22619908 0.81 CYP2C8 (0.71) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL22619866 0.81 CYP2C8 (0.75) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL22619737 0.80 CYP2C8 (0.83) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL22619686 0.80 CYP2C8 (0.75) CYP2C8CYP2B6CYP2C9CYP2C19SCD5
SCHEMBL24784133 0.80 CYP2C8 (1.00) CYP2C8CYP2B6CYP2C9CYP2C19SCD5

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-112313224-A ATF6 inhibitors and uses thereof 黑带医疗有限责任公司 2021-02-02 CN disclosed