SCHEMBL29940658

SCHEMBL29940658

CCN(C(C)=O)c1cc(C)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSPO P30536 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL21678069 0.84 BAZ2B (0.43) MAPTTP53TDP1THRBCYP3A4
SCHEMBL13091077 0.84 MAPT (0.52) MAPTTP53TDP1THRBCYP3A4
SCHEMBL30715126 0.82 MAPT (0.43) MAPTTP53TDP1THRBCYP3A4
SCHEMBL14882484 0.80 HPGD (0.47) TSHRSMN1; SMN2HPGDALDH1A1GLA
SCHEMBL7723689 0.78 LMNA (0.63) TP53CYP3A4LMNATSHRALDH1A1
SCHEMBL26032149 0.76 POLB (0.48) MAPTTP53TDP1THRBSMN1; SMN2
SCHEMBL18867920 0.76 TSPO (0.46) TSHRSMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL14115709 0.75 SMN1; SMN2 (0.41) CYP3A4LMNATSHRSMN1; SMN2HPGD
SCHEMBL10282142 0.73 ALDH1A1 (0.48) TSHRSMN1; SMN2ALDH1A1GLAMEN1
SCHEMBL10348155 0.72 ALDH1A1 (0.42) MAPTTP53TDP1LMNASMN1; SMN2

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
CN-108203395-B Organoleptic compounds 国际香料和香精公司 2022-09-16 — — CN disclosed
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