SCHEMBL6567600

SCHEMBL6567600

C/C(=C\OC(=O)Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 3/20 0.43
NR1H4 Q96RI1 4/20 0.43
TSHR P16473 1/20 0.42
ESRRG P62508 1/20 0.42
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
PAM P19021 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6567605 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7899340 0.90 POLB (0.47) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL7899338 0.90 POLB (0.47) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL7905599 0.87 SMN1; SMN2 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7905596 0.87 SMN1; SMN2 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7905492 0.86 KMT2A (0.50) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7905495 0.86 KMT2A (0.50) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL6566649 0.84 TDP1 (0.45) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL6566655 0.84 TDP1 (0.45) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL7605705 0.84 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887336-B1 Precursor compounds GIVAUDAN SA (CH) 2004-01-07 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 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