SCHEMBL10385487

SCHEMBL10385487

COc1ccc2c(C(=O)N(C)F)cccc2c1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.63
AKR1A1 P14550 1/20 0.63
AKR1B1 P15121 1/20 0.63
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
STAT6 P42226 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC25B P30305 2/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLK1 P53350 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 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
SCHEMBL7089895 0.85 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1CYP2C9CDC25B
SCHEMBL10352914 0.84 AKR1B10 (0.80) AKR1B10AKR1A1AKR1B1ALDH1A1CYP1A2
SCHEMBL7113675 0.83 AKR1B10 (0.65) AKR1B10AKR1A1AKR1B1ALDH1A1CYP2C9
SCHEMBL9575302 0.83 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1ALDH1A1HSD17B10
SCHEMBL10352844 0.83 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1ALDH1A1CYP1A2
SCHEMBL9750457 0.83 AKR1B10 (0.65) AKR1B10AKR1A1AKR1B1ALDH1A1CYP1A2
SCHEMBL10352845 0.83 AKR1B10 (0.65) AKR1B10AKR1A1AKR1B1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10417267 0.82 AKR1B10 (0.63) AKR1B10AKR1A1AKR1B1ALDH1A1CYP2C9
SCHEMBL10417266 0.82 AKR1B10 (0.60) AKR1B10AKR1A1AKR1B1ALDH1A1CYP1A2
SCHEMBL10415791 0.82 AKR1B10 (0.60) AKR1B10AKR1A1AKR1B1CDC25BMAPT

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-4962224-A TREATMENT OR PREVENTION OF DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-09 US claimed