SCHEMBL29109643

SCHEMBL29109643

CCC(C)C(=O)C(=O)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HDAC3 O15379 3/20 0.48
MAPT P10636 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PLIN1 O60240 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
RECQL P46063 2/20 0.48
PLIN5 Q00G26 2/20 0.48
ABHD5 Q8WTS1 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL7933720 0.83 TDP1 (0.53) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL7945432 0.83 TDP1 (0.53) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL2153308 0.75 MAPT (0.73) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL1034505 0.75 MAPT (0.73) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL1034506 0.75 MAPT (0.73) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL7659599 0.75 GLA (0.57) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL23079101 0.75 AKR1C3 (0.56) NPC1ALDH1A1RECQLSMN1; SMN2MAPK1
SCHEMBL14773343 0.74 HDAC2 (0.53) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL21979428 0.73 HDAC3 (0.44) TDP1NPC1L3MBTL1GLAALDH1A1
SCHEMBL12098235 0.72 TDP1 (0.53) TDP1NPC1L3MBTL1GLAALDH1A1

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-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN disclosed