SCHEMBL29089403

SCHEMBL29089403

CCCCC[CH]CCCC(=O)N1CCSC1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
NAAA Q02083 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FAAH O00519 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GNAI3 P08754 2/20 0.34
GNAI1 P63096 2/20 0.34
GNAO1 P09471 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL29089404 0.99 NAAA (0.42) KMT2AMAPTALDH1A1NAAASMN1; SMN2
SCHEMBL6713332 0.88 TERT (0.45) KMT2AMAPTNAAAFAAHCYP1A2
SCHEMBL6713336 0.88 TERT (0.45) KMT2AMAPTNAAAFAAHCYP1A2
SCHEMBL6684679 0.87 NAAA (0.51) KMT2AMAPTALDH1A1NAAASMN1; SMN2
SCHEMBL8822085 0.87 NAAA (0.51) KMT2AMAPTALDH1A1NAAASMN1; SMN2
SCHEMBL30426960 0.87 NAAA (0.51) KMT2AMAPTALDH1A1NAAASMN1; SMN2
SCHEMBL10047902 0.81 MAPT (0.48) KMT2AMAPTALDH1A1NAAASMN1; SMN2
SCHEMBL21743123 0.79 KMT2A (0.47) KMT2AMAPTALDH1A1NAAASMN1; SMN2
SCHEMBL15715805 0.78 CASP2 (0.44) KMT2AMAPTALDH1A1NAAASMN1; SMN2
SCHEMBL25204692 0.76 KMT2A (0.41) KMT2AMAPTALDH1A1NAAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116997558-A Wallpaper composition for releasing fragrance component through heating and wallpaper 韩国烟草人参公社 2023-11-03 CN disclosed
CN-116887705-A Novel flavoring agent, flavoring agent composition and product containing the flavoring agent composition 韩国烟草人参公社 2023-10-13 CN disclosed
CN-116600664-A Smoking article comprising novel flavourant 韩国烟草人参公社 2023-08-15 CN disclosed