SCHEMBL7905495

SCHEMBL7905495

COc1ccc(CC(=O)OC=C(C)Cc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
EPHX2 P34913 1/20 0.50
RAB9A P51151 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
CACNA1I Q9P0X4 1/20 0.45
CACNA1H O95180 1/20 0.44

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
SCHEMBL7905492 1.00 KMT2A (0.50) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL7908678 0.87 EPHX2 (0.54) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL7908674 0.87 EPHX2 (0.54) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL6567605 0.86 ALDH1A1 (0.47) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL6567600 0.86 ALDH1A1 (0.47) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL7905596 0.85 SMN1; SMN2 (0.45) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL7905599 0.85 SMN1; SMN2 (0.45) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL6568187 0.83 LMNA (0.50) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL6568186 0.83 LMNA (0.50) KMT2AL3MBTL1MEN1NPC1EPHX2
SCHEMBL5186509 0.82 SMN1; SMN2 (0.43) KMT2AL3MBTL1MEN1NPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US claimed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP claimed
EP-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP claimed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed