SCHEMBL9311364

SCHEMBL9311364

CC(C)=CCCC(C)=Cc1ccc(CO)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
MAOB P27338 3/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
APP P05067 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
UGT1A1 P22309 1/20 0.40
PTPN1 P18031 1/20 0.39
BACE1 P56817 1/20 0.39
SQLE Q14534 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
SCHEMBL9311353 1.00 KMT2A (0.41) KMT2AMEN1CYP3A4ALOX15MAOB
SCHEMBL9312036 0.79 FNTA (0.36) MAOBPPARGPPARAAPP
SCHEMBL9312043 0.79 FNTA (0.36) MAOBPPARGPPARAAPP
SCHEMBL9310955 0.78 ICMT (0.45) CYP3A4MAOBAPPMAPTPTPN1
SCHEMBL9310968 0.78 ICMT (0.45) CYP3A4MAOBAPPMAPTPTPN1
SCHEMBL9132426 0.78 KMT2A (0.46) KMT2AMEN1CYP3A4ALOX15PPARG
SCHEMBL9132437 0.78 KMT2A (0.46) KMT2AMEN1CYP3A4ALOX15PPARG
SCHEMBL9633811 0.77
SCHEMBL9633802 0.77
SCHEMBL9310117 0.76 PPARG (0.43) KMT2AMEN1CYP3A4ALOX15PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374628-A Aryl and heteroaryl(phosphinylmethyl)phosphonate squalene synthetase inhibitors and method E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
US-5278153-A Hypocholesterolemic or hypolipemic E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed