SCHEMBL7908674

SCHEMBL7908674

COc1ccc(C(=O)O/C=C(\C)Cc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
NR1H4 Q96RI1 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX15 P16050 1/20 0.53
APEX1 P27695 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 4/20 0.51
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CACNA1H O95180 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL7908678 1.00 EPHX2 (0.54) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL7899385 0.92 CA1 (0.48) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL7899387 0.92 CA1 (0.48) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL7905495 0.87 KMT2A (0.50) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL7905492 0.87 KMT2A (0.50) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL5186509 0.80 SMN1; SMN2 (0.43) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL5494077 0.80 SMN1; SMN2 (0.43) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL5186521 0.80 SMN1; SMN2 (0.43) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL3093928 0.78 LMNA (0.74) EPHX2NR1H4MEN1KMT2AL3MBTL1
SCHEMBL5496621 0.78 HTT (0.53) MEN1KMT2ANPC1ALDH1A1MAPT

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 3 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
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-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed