SCHEMBL9489264

SCHEMBL9489264

CCCOc1ccc2c(C(F)(F)F)c(OC)ccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.47
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4D Q08499 1/20 0.37
CA9 Q16790 3/20 0.37
PPARA Q07869 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PPARD Q03181 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9489622 0.94 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1CA9PPARA
SCHEMBL9489260 0.90 TSHR (0.47) AKR1B10AKR1A1AKR1B1KDM4EHPGD
SCHEMBL9489060 0.87 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1KDM4ECA9
SCHEMBL10594137 0.84 AKR1B10 (0.44) AKR1B10AKR1A1AKR1B1KDM4EHPGD
SCHEMBL9490871 0.84 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1KDM4EHPGD
SCHEMBL10387875 0.82 MRGPRX4 (0.47) AKR1B10AKR1A1AKR1B1HPGDSMN1; SMN2
SCHEMBL9490146 0.81 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1KDM4EHPGD
SCHEMBL9489106 0.79 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1PPARAPPARD
SCHEMBL9489560 0.79 ALDH1A1 (0.47) AKR1B10AKR1A1AKR1B1KDM4EHPGD
SCHEMBL9490331 0.79 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1KDM4EHPGD

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