SCHEMBL11006754

SCHEMBL11006754

C=CCCC(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
GSK3B P49841 1/20 0.52
MEN1 O00255 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
ALDH1A1 P00352 4/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
NLRP1 Q9C000 1/20 0.45
NTSR1 P30989 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL2745218 0.89 KMT2A (0.55) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL2761141 0.82 NPC1 (0.61) NPC1RAB9AALDH1A1TDP1POLB
SCHEMBL2118360 0.82 KMT2A (0.66) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL17433358 0.81 ALDH1A1 (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL16552778 0.81 KMT2A (0.83) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL1833485 0.81 NPC1 (0.62) KMT2AMEN1NPC1RAB9ACTNNB1
SCHEMBL11738823 0.81 GSK3B (0.53) KMT2AGSK3BMEN1NPC1ALDH1A1
SCHEMBL1528771 0.81 GSK3B (0.53) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL18199115 0.80 RAB9A (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL15346436 0.80 MAPT (0.60) KMT2AGSK3BMEN1NPC1RAB9A

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-4507225-A Process for augmenting or enhancing the aroma of perfume compositions, colognes and perfumed articles with 1-phenylpenten-4-one-1 and methyl homologues thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-03-26 US disclosed