SCHEMBL7899340

SCHEMBL7899340

CC(=COC(=O)CCc1ccccc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.44
ESRRG P62508 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
NR1H4 Q96RI1 3/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.40
ESRRB O95718 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 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
SCHEMBL7899338 1.00 POLB (0.47) POLBGAACYP2C19TDP1L3MBTL1
SCHEMBL6567605 0.90 ALDH1A1 (0.47) POLBGAACYP2C19TDP1L3MBTL1
SCHEMBL6567600 0.90 ALDH1A1 (0.47) POLBGAACYP2C19TDP1L3MBTL1
SCHEMBL6566655 0.90 TDP1 (0.45) POLBGAACYP2C19TDP1L3MBTL1
SCHEMBL6566649 0.90 TDP1 (0.45) POLBGAACYP2C19TDP1L3MBTL1
SCHEMBL7905596 0.88 SMN1; SMN2 (0.45) L3MBTL1RAB9AESRRGNPC1ALDH1A1
SCHEMBL7905599 0.88 SMN1; SMN2 (0.45) L3MBTL1RAB9AESRRGNPC1ALDH1A1
SCHEMBL6568187 0.83 LMNA (0.50) TDP1L3MBTL1RAB9AESRRGNPC1
SCHEMBL6568186 0.83 LMNA (0.50) TDP1L3MBTL1RAB9AESRRGNPC1
SCHEMBL7605705 0.80 ALDH1A1 (0.46) POLBGAACYP2C19L3MBTL1RAB9A

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-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP claimed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (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