SCHEMBL7140740

SCHEMBL7140740

CCCC(C)=CNc1c(C)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ACLY P53396 1/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MYC P01106 1/20 0.39
F2R P25116 1/20 0.39
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1B10 O60218 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
DHFR P00374 1/20 0.38
LMNA P02545 1/20 0.38
MPO P05164 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
SCHEMBL18952376 0.79 NR1H4 (0.43) POLBKDM4EALDH1A1ACLYSMN1; SMN2
SCHEMBL9511883 0.76 POLB (0.56) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13073786 0.72 POLB (0.56) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4565884 0.71 HDAC3 (0.57) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL28859305 0.71 POLB (0.50) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL950942 0.71 POLB (0.62) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL165558 0.70 POLB (0.61) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9958891 0.70 POLB (0.60) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28278344 0.70 CA12 (0.49) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10986752 0.69 HDAC3 (0.58) POLBKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US claimed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP claimed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO claimed
US-6521797-B1 Precursors for organoleptic compounds, especially for flavors, fragrances and masking agents, and/or antimicrobial compounds; 2,6-dimethyl-oct-5-enal generated by the cleavage of the oxime derivative GIVAUDAN AG (CH) 2003-02-18 US disclosed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US disclosed
US-6258854-B1 KETONE ETHERS FOR ODORS GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) 2001-07-10 US disclosed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 EP disclosed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed