SCHEMBL19971849

SCHEMBL19971849

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PARP1 P09874 1/20 0.40
KCNQ2 O43526 1/20 0.39
ACP3 P15309 1/20 0.38
TRPA1 O75762 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HPGD P15428 1/20 0.36
AOC3 Q16853 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL14033301 0.83 TRPA1 (0.53) TRPA1TRPM8AOC3
SCHEMBL4988045 0.79 ACP3 (0.41) PARP1ACP3GPR139
SCHEMBL12883182 0.76 PARP1 (0.46) TDP1HDAC4HDAC2HDAC8PARP1
SCHEMBL29920958 0.76 TDP1 (0.52) TDP1PARP1KCNQ2ACP3PSEN1
SCHEMBL19206272 0.76 TDP1 (0.52) TDP1PARP1KCNQ2ACP3PSEN1
SCHEMBL27668079 0.76 ACP3 (0.42) HDAC4HDAC2HDAC8PARP1KCNQ2
SCHEMBL14683340 0.76 TDP1 (0.43) TDP1HDAC4HDAC2HDAC8PARP1
SCHEMBL15471646 0.76 TDP1 (0.43) TDP1HDAC4HDAC2HDAC8PARP1
SCHEMBL5320092 0.76 KYNU (0.50) ACP3GPR139
SCHEMBL598866 0.75 HDAC4 (0.55) HDAC4HDAC2HDAC8ACP3HPGD

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 6 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
EP-3897194-B1 STABLE SPRAY-DRIED PARTICLES GIVAUDAN SA (CH) 2023-09-06 EP 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