SCHEMBL9490331

SCHEMBL9490331

COc1ccc2c(C(=O)O)c(Br)ccc2c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.46
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL9490610 0.87 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1MEN1KMT2A
SCHEMBL9490565 0.85 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1MEN1KMT2A
SCHEMBL9490146 0.85 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1CA12CA1
SCHEMBL9489560 0.83 ALDH1A1 (0.47) AKR1B10AKR1A1AKR1B1CA12CA1
SCHEMBL9491641 0.81 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1KMT2AL3MBTL1
SCHEMBL9489260 0.81 TSHR (0.47) AKR1B10AKR1A1AKR1B1CA12CA1
SCHEMBL9489060 0.81 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1CA12CA1
SCHEMBL9490723 0.80 TTR (0.48) AKR1B10AKR1A1AKR1B1CA12CA1
SCHEMBL9489025 0.79 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1L3MBTL1LMNA
SCHEMBL9489264 0.79 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322256-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
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
WO-1989005793-A1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-29 WO disclosed
EP-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
US-4820727-A TREATING DIABETIC COMPLICATIONS-VISION DEFECTS, KIDNEY AND NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-11 US disclosed