SCHEMBL9489677

SCHEMBL9489677

COC(=O)CNC(=O)c1c(F)ccc2c(C(F)(F)F)c(OC)ccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1A1 P14550 1/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 4/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
P2RX7 Q99572 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL9489469 0.91 AKR1B10 (0.46) PTGS2AKR1B10AKR1A1AKR1B1KDM4E
SCHEMBL9491854 0.90 PTGS2 (0.40) PTGS2AKR1B10AKR1A1AKR1B1MEN1
SCHEMBL9489637 0.82 AKR1B10 (0.43) PTGS2AKR1B10AKR1A1AKR1B1CYP2C19
SCHEMBL10641624 0.81 AKR1B10 (0.56) PTGS2AKR1B10AKR1A1AKR1B1KDM4E
SCHEMBL9490146 0.80 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1KDM4EHPGD
SCHEMBL9491061 0.80 AKR1B10 (0.44) PTGS2AKR1B10AKR1A1AKR1B1PDE4A
SCHEMBL9490521 0.79 AKR1B10 (0.43) PTGS2AKR1B10AKR1A1AKR1B1KDM4E
SCHEMBL9491210 0.75 AKR1B10 (0.43) PTGS2AKR1B10AKR1A1AKR1B1CYP2C19
SCHEMBL10388876 0.74 AKR1B10 (0.51) PTGS2AKR1B10AKR1A1AKR1B1KDM4E
SCHEMBL10416215 0.73 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322255-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
US-4962224-A TREATMENT OR PREVENTION OF DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-09 US disclosed
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed