SCHEMBL11246793

SCHEMBL11246793

O=C(O)Cc1cccc2c(-c3ccc(C(F)(F)F)cc3)nccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.44
PPARG P37231 3/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TRPV1 Q8NER1 5/20 0.40
PPARA Q07869 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL11255067 0.88 TDO2 (0.50) PPARDPPARGNR1H2NR1H3TDP1
SCHEMBL11262804 0.86 TDP1 (0.45) PTGDR2TDP1
SCHEMBL11251835 0.85 TDP1 (0.54) PTGDR2PPARGNR1H2NR1H3TDP1
SCHEMBL11261678 0.83 TDP1 (0.45) PTGDR2PPARGNR1H2NR1H3TDP1
SCHEMBL11246786 0.83 LMNA (0.48) PTGDR2PPARGNR1H2NR1H3TDP1
SCHEMBL11255704 0.83 PTGDR2 (0.49) PTGDR2TDP1
SCHEMBL2870033 0.83 TRPV1 (0.50) PPARDPTGDR2PSEN1PSEN2APH1B
SCHEMBL11259158 0.80 TDP1 (0.42) PTGDR2PPARGNR1H2NR1H3TDP1
SCHEMBL11258880 0.80 MMP2 (0.51) PPARDPTGDR2TDP1
SCHEMBL11250186 0.80 PTGDR2 (0.43) PTGDR2PPARGNR1H2NR1H3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed