SCHEMBL9490723

SCHEMBL9490723

COc1ccc2c(C(=O)O)c(Oc3ccccc3)ccc2c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.48
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 1/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.39
CDC25B P30305 1/20 0.38
LPAR1 Q92633 3/20 0.38
LPAR5 Q9H1C0 3/20 0.38
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL9489570 0.83 AKR1B10 (0.59) TTRKDM4EHSD17B10AKR1B10AKR1A1
SCHEMBL10586917 0.83 KDM4E (0.42) TTRKDM4EHSD17B10AKR1B10AKR1A1
SCHEMBL10586920 0.83 AKR1B10 (0.44) TTRKDM4EHSD17B10AKR1B10AKR1A1
SCHEMBL9490146 0.82 AKR1B10 (0.47) KDM4EAKR1B10AKR1A1AKR1B1CA12
SCHEMBL9489527 0.81 AKR1B10 (0.68) TTRKDM4EHSD17B10AKR1B10AKR1A1
SCHEMBL10387875 0.81 MRGPRX4 (0.47) AKR1B10AKR1A1AKR1B1RAB9ASMN1; SMN2
SCHEMBL9489060 0.80 AKR1B10 (0.46) KDM4EAKR1B10AKR1A1AKR1B1CA12
SCHEMBL9489260 0.80 TSHR (0.47) KDM4EHSD17B10AKR1B10AKR1A1AKR1B1
SCHEMBL9489560 0.80 ALDH1A1 (0.47) TTRKDM4EHSD17B10AKR1B10AKR1A1
SCHEMBL9490331 0.80 AKR1B10 (0.46) KDM4EAKR1B10AKR1A1AKR1B1CA12

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