SCHEMBL19971848

SCHEMBL19971848

CCCC(CC)(C(N)=O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.44
LMNA P02545 2/20 0.43
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
PARP1 P09874 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3631069 0.82 HTT (0.53) KIF11LMNASCN5ASCN9ACYP3A4
SCHEMBL15821917 0.76 CES2 (0.47) KIF11HTR3EHTR3BHTR3AHTR3D
SCHEMBL28150792 0.75 HTT (0.56) KIF11LMNASCN5ASCN9ACYP3A4
SCHEMBL30087612 0.74 PARP1 (0.48) KIF11LMNAPARP1CYP3A4CYP2D6
SCHEMBL4593887 0.73 PARP1 (0.52) KIF11LMNAPARP1CYP3A4CYP2D6
SCHEMBL6014096 0.73 PARP1 (0.49) KIF11SCN5ASCN9APARP1HPGD
SCHEMBL28334633 0.73 LMNA (0.47) KIF11LMNAPARP1CYP3A4CYP2D6
SCHEMBL29875160 0.73 KIF11 (0.44) KIF11LMNAPARP1CYP3A4CYP2D6
SCHEMBL4058259 0.72 PKM (0.37) LMNASCN5ASCN9ACYP3A4CYP2C19
SCHEMBL2637169 0.72 KIF11 (0.46) KIF11LMNACYP3A4CYP2D6CYP2C9

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
US-20240192184-A1 DETECTION OF FLAVOUR LOSS GIVAUDAN SA (CH) 2024-06-13 US disclosed
US-20230085557-A1 ACTIVE COMPONENT DELIVERY SYSTEMS GIVAUDAN SA (CH) 2023-03-16 US disclosed
US-20220046961-A1 STABLE, SPRAY-DRIED PARTICLES AND PROCESS FOR OBTAINING SAME GIVAUDAN SA (CH) 2022-02-17 US disclosed
US-20200352204-A1 STABLE, SPRAY-DRIED PARTICLES AND PROCESS FOR OBTAINING SAME GIVAUDAN SA (CH) 2020-11-12 US disclosed
US-20180077960-A1 FLAVOR COMPOSITION GIVAUDAN S.A. (CH) 2018-03-22 US disclosed