SCHEMBL8665649

SCHEMBL8665649

O=C1c2cccc(F)c2C(=O)C1(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 1.00
CA2 P00918 14/20 1.00
CA7 P43166 14/20 1.00
CA9 Q16790 14/20 1.00
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
RECQL P46063 1/20 0.56
BACE1 P56817 1/20 0.56
EHMT2 Q96KQ7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PDK2 Q15119 2/20 0.43
SLC6A9 P48067 1/20 0.41
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA4 P22748 2/20 0.37
TTR P02766 1/20 0.36
DUSP3 P51452 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
SCHEMBL15642543 0.78 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL27641878 0.76 CA1 (0.63) CA1CA2CA7CA9ALDH1A1
SCHEMBL28285608 0.76 CA1 (0.67) CA1CA2CA7CA9ALDH1A1
SCHEMBL6199820 0.76 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL24756654 0.75 CA1 (0.61) CA1CA2CA7CA9ALDH1A1
SCHEMBL28478368 0.74 CA1 (0.61) CA1CA2CA7CA9ALDH1A1
SCHEMBL14939600 0.73 CA1 (0.57) CA1CA2CA7CA9ALDH1A1
SCHEMBL29350272 0.73 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL3658029 0.73 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL17986 0.73 CA1 (1.00) CA1CA2CA7CA9ALDH1A1

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-0646574-B1 Ketonic indane derivatives, their preparation and therapeutic application thereof INNOTHERA LAB SA (FR) 1998-12-09 EP disclosed
EP-0646574-A1 Ketonic indane derivatives, their preparation and therapeutic application thereof LABORATOIRE INNOTHERA Société Anonyme (FR) 1995-04-05 EP disclosed
EP-0646579-A1 Ketonic indane derivatives and heterocyclic analysis and their use in therapy LABORATOIRE INNOTHERA Société Anonyme (FR) 1995-04-05 EP disclosed