SCHEMBL8948282

SCHEMBL8948282

CC(=CC(C)C1CC=C(C)CC1)CCC=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 1/20 0.35
STAT3 P40763 1/20 0.35
LMNA P02545 3/20 0.35
PTPN1 P18031 2/20 0.34

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
SCHEMBL8948157 0.83 LMNA (0.36) CYP3A4ALOX15MEN1MAPK1KMT2A
Citral SCHEMBL28968637 0.76 ALDH1A1 (0.48) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL998020 0.75 LMNA (0.38) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL4760709 0.75 PTPN1 (0.36) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL711809 0.71 LMNA (0.35) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL31538249 0.71 LMNA (0.35) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL21542489 0.71 LMNA (0.35) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL21986506 0.71 LMNA (0.35) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL30891547 0.71 LMNA (0.35) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL229476 0.71 LMNA (0.35) CYP3A4ALOX15MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510326-A SYNTHETIC ODORANT; PERFUMES GIVAUDAN-ROURE CORPORATION (US) 1996-04-23 US disclosed