SCHEMBL10691650

SCHEMBL10691650

CCc1cccc(C)c1NC(=O)CC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
HTT P42858 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SCN3A Q9NY46 3/20 0.55
MAPT P10636 3/20 0.55
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
ALOX15 P16050 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
NLRP3 Q96P20 1/20 0.55
LMNA P02545 2/20 0.54
BLM P54132 1/20 0.54
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL10392123 0.90 ALOX15 (0.58) POLBHTTALDH1A1MAPTALOX15
SCHEMBL10692014 0.88 MAPT (0.64) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL11414687 0.87 POLB (0.61) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL12923166 0.86 POLB (0.64) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL9801144 0.84 NLRP3 (0.59) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL12812272 0.84 POLB (0.65) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL30323772 0.83 POLB (0.61) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6546027 0.83 POLB (0.61) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL20194427 0.82 NLRP3 (0.60) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL11425285 0.82 POLB (0.59) POLBHTTALDH1A1MEN1KMT2A

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-119080719-A Preparation method of polysubstituted olefin epoxy compound 广西科技大学 2024-12-06 CN claimed
CN-119080719-A Preparation method of polysubstituted olefin epoxy compound 广西科技大学 2024-12-06 CN disclosed
US-4730061-A PLANT GROWTH REGULATORS DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1988-03-08 US disclosed