SCHEMBL7756307

SCHEMBL7756307

CCC(=O)C(C(=O)O)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GLA P06280 1/20 0.41
TSPO P30536 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL4628923 0.86 KMT2A (0.56) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL8825702 0.83 L3MBTL1 (0.47) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL29889833 0.79 POLB (0.53) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL8539857 0.79 KMT2A (0.50) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL1999919 0.79 POLB (0.53) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL27607396 0.79 ACP3 (0.41) L3MBTL1KMT2AMEN1HPGDALDH1A1
SCHEMBL24977468 0.76 POLB (0.53) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL27436626 0.76 POLB (0.53) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL2003346 0.76 MEN1 (0.50) POLBL3MBTL1HTTNPSR1KMT2A
SCHEMBL3385979 0.75 POLB (0.51) POLBL3MBTL1HTTNPSR1KMT2A

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
EP-1077950-A1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-02-28 EP disclosed
WO-1999054311-A1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed