SCHEMBL7846691

SCHEMBL7846691

CCC1(CC)Cc2cccc(OC)c2O1.O=C(O)Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38

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
Bicarbonate SCHEMBL7360481 0.95 NPC1 (0.47) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL5786283 0.90 NPC1 (0.44) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL7049258 0.73 NPC1 (0.40) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL29963667 0.72 DRD2 (0.38) LMNA
SCHEMBL7356280 0.72 KDM4E (0.40) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL7353933 0.72 FFAR4 (0.35) KMT2ALMNAALDH1A1KDM4E
SCHEMBL12301094 0.70 L3MBTL1 (0.35) KMT2ALMNAMEN1POLB
SCHEMBL2378171 0.70 LMNA (0.60) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL7909791 0.69 KMT2A (0.42) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL7361816 0.68 KDM4E (0.34) LMNAALDH1A1KDM4EMAPT

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-0772610-B9 DIHYDROBENZOFURANES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-07-25 EP disclosed
EP-0772610-B1 DIHYDROBENZOFURANES BYK GULDEN LOMBERG CHEM FAB (DE) 2000-10-04 EP disclosed