SCHEMBL7550977

SCHEMBL7550977

CC(C)=CCC(C)(CO)C1CC=C(C)C1(C)C

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
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7576227 0.79 CYP3A4 (0.34) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL7546327 0.78
SCHEMBL2425327 0.69 LMNA (0.41) LMNA
SCHEMBL12324738 0.69 LMNA (0.41) LMNA
SCHEMBL16053164 0.67 USP2 (0.38) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL3625807 0.67 USP2 (0.38) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL2422397 0.67 LMNA (0.33) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL2424472 0.66 OSBP (0.34) CYP3A4ALOX15MEN1MAPK1KMT2A
SCHEMBL7548848 0.65 TRPA1 (0.31)
SCHEMBL2424376 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746552-B1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN SA (CH) 2002-06-12 EP disclosed
US-5665696-A ODORANT COMPOSITIONS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1997-09-09 US disclosed
EP-0746552-A1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP disclosed
WO-1996020185-A2 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-07-04 WO disclosed
US-5510326-A SYNTHETIC ODORANT; PERFUMES GIVAUDAN-ROURE CORPORATION (US) 1996-04-23 US disclosed