SCHEMBL6565332

SCHEMBL6565332

Cc1cc(I)ccc1-n1nc(CCC(=O)O)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.51
RXRB P28702 10/20 0.51
RXRG P48443 10/20 0.51
ALDH1A1 P00352 1/20 0.48
NR1H4 Q96RI1 1/20 0.44
ALOX5 P09917 3/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
FABP3 P05413 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6565507 0.88 ALOX5 (0.46) RXRARXRBRXRGALDH1A1ALOX5
SCHEMBL14445463 0.78 RXRA (0.78) RXRARXRBRXRGNR1H4ALOX5
SCHEMBL6563544 0.72 RXRA (0.38) RXRARXRBRXRGALDH1A1FABP3
SCHEMBL14728118 0.72 RXRA (0.80) RXRARXRBRXRGNR1H4ALOX5
SCHEMBL14445464 0.70 RXRA (0.63) RXRARXRBRXRGALOX5CNR1
SCHEMBL9522392 0.70 RXRA (0.81) RXRARXRBRXRGALOX5FABP3
SCHEMBL8689127 0.69 CA9 (0.79) RXRARXRBRXRGPTGS1CA1
SCHEMBL4009771 0.68 RXRA (0.57) RXRARXRBRXRGCNR2SLC16A3
SCHEMBL9353438 0.68 RXRA (0.55) RXRARXRBRXRGALOX5PTGS1
SCHEMBL878054 0.68 RXRA (0.71) RXRARXRBRXRGALOX5PTGS1

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed