SCHEMBL9628106

SCHEMBL9628106

COc1ccc2c(c1)C(CC(=O)O)CO2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.56
PPARG P37231 13/20 0.56
FFAR1 O14842 13/20 0.56
PPARA Q07869 1/20 0.52
ATM Q13315 1/20 0.48

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
SCHEMBL206775 0.90 PPARD (0.69) PPARDPPARGFFAR1PPARA
SCHEMBL9669326 0.86 HTR1A (0.58) PPARDPPARGFFAR1ATM
SCHEMBL24090506 0.82 HTR2B (0.55)
SCHEMBL3652699 0.82 MTNR1A (0.54)
SCHEMBL134401 0.81 HTR1A (0.43) PPARDPPARGFFAR1
SCHEMBL9627798 0.81 HTR1A (0.50)
SCHEMBL9629898 0.79 MTNR1A (0.56)
SCHEMBL132847 0.79 MTNR1A (0.66)
SCHEMBL172889 0.78 HTR1A (0.57)
SCHEMBL2691621 0.78 PPARD (0.54) PPARDPPARGFFAR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281261-B1 3-AMINOMETHYL DERIVATIVES OF INDANE, INDOLINE AND DIHYDROBENZOFURANE AND DIHYDROBENZOTHIOPHENE H. LUNDBECK A/S (DK) 1992-05-06 EP disclosed
US-4946863-A CNS-affecting 6-oxy-3-aminomethyl indanes, compositions thereof, and method of treating therewith H. LUNDBECK A/S (DK) 1990-08-07 US disclosed
US-4847254-A CNS affecting 5-oxy-3-aminomethyl-dihydro-benzofurans and benzothiophenes H. LUNDBECK A/S (DK) 1989-07-11 US disclosed
EP-0281261-A2 3-Aminomethyl derivatives of indane, indoline and dihydrobenzofurane and dihydrobenzothiophene H. LUNDBECK A/S (DK) 1988-09-07 EP disclosed