SCHEMBL7945432

SCHEMBL7945432

CCC(C)C(=O)/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
GLA P06280 1/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PLIN1 O60240 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
RECQL P46063 2/20 0.52
PLIN5 Q00G26 2/20 0.52
ABHD5 Q8WTS1 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
TNKS O95271 1/20 0.52

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 1.00 TDP1 (0.53) TDP1GLANPC1L3MBTL1ALDH1A1
SCHEMBL14773343 0.90 HDAC2 (0.53) TDP1GLANPC1L3MBTL1ALDH1A1
SCHEMBL9111048 0.83 HDAC3 (0.51) TDP1GLANPC1L3MBTL1ALDH1A1
SCHEMBL29109643 0.83 TDP1 (0.50) TDP1GLANPC1L3MBTL1ALDH1A1
SCHEMBL23758071 0.83 KDM4E (0.45) NPC1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL6938547 0.82 MMP1 (0.49) MAOBMAOA
SCHEMBL6938544 0.82 MMP1 (0.49) MAOBMAOA
SCHEMBL12098235 0.82 TDP1 (0.53) TDP1GLANPC1L3MBTL1ALDH1A1
SCHEMBL19441374 0.81 TDP1 (0.49) TDP1GLANPC1L3MBTL1ALDH1A1
SCHEMBL24364714 0.81 NPC1 (0.49) TDP1GLANPC1L3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6183765-B1 SILICONE ELASTOMERS CAPABLE OF RELEASING PYRETHROID INSECTICIDES COMPRISED IN THEM, WITH OR WITHOUT HEATING, WITHOUT CHANGING THEIR FORM IN THE PROCESS. BAYER AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-5645845-A CONTAINING PYRETHROID-TYPE COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed