SCHEMBL14425199

SCHEMBL14425199

Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
HTT P42858 1/20 0.60
RXRA P19793 11/20 0.56
RXRB P28702 11/20 0.56
RXRG P48443 9/20 0.56
MCL1 Q07820 1/20 0.50
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
PTGS2 P35354 1/20 0.48
KLKB1 P03952 1/20 0.47
CTSB P07858 1/20 0.47
AKR1B1 P15121 1/20 0.47
DGAT1 O75907 1/20 0.47

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
SCHEMBL969589 0.84 HPGD (0.55) ABCC4LMNAGAATSHRPTGS1
Hydrochloric Acid SCHEMBL2530255 0.82 HPGD (0.53) LMNAGAATSHRPTGS1CA2
SCHEMBL68027 0.82 LMNA (0.86) ABCC4LMNAGAATSHRPTGS1
SCHEMBL18427891 0.82 LMNA (0.86) ABCC4LMNAGAATSHRPTGS1
SCHEMBL10228775 0.80 ABCC4 (0.69) ABCC4LMNAGAATSHRPTGS1
SCHEMBL12126599 0.80 LMNA (0.75) ABCC4LMNAGAATSHRPTGS1
SCHEMBL12087753 0.79 ABCC4 (0.67) ABCC4LMNAGAATSHRPTGS1
SCHEMBL18427881 0.79 ABCC4 (0.80) ABCC4LMNAGAATSHRPTGS1
SCHEMBL6295539 0.76 ABCC4 (0.69) ABCC4LMNAGAATSHRPTGS1
Felbinac SCHEMBL7107700 0.76 LMNA (0.91) ABCC4LMNAGAATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273861-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-09-25 US disclosed