SCHEMBL7789570

SCHEMBL7789570

C=CC(Cc1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
PKM P14618 1/20 0.55
SLC1A2 P43004 1/20 0.46
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
POLB P06746 3/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL10588010 0.85 ALDH1A1 (0.61) ALDH1A1PKMSLC1A2TDP1HDAC3
SCHEMBL7800089 0.81 GSK3A (0.44) ALDH1A1PKMTDP1POLBGAA
SCHEMBL13937943 0.80 TDP1 (0.58) ALDH1A1PKMTDP1POLBGAA
SCHEMBL7797911 0.80 TDP1 (0.58) ALDH1A1PKMTDP1POLBGAA
SCHEMBL7796562 0.80 TDP1 (0.58) ALDH1A1PKMTDP1POLBGAA
SCHEMBL15229668 0.76 EPHX1 (0.41) ALDH1A1PKMTDP1POLBGAA
SCHEMBL8854355 0.75 ALDH1A1 (0.55) ALDH1A1GAAMAPTMEN1HTT
SCHEMBL3511878 0.74 TDP1 (0.64) ALDH1A1PKMSLC1A2TDP1HDAC3
Hydrochloric Acid SCHEMBL11228170 0.71 CYP1A2 (0.51) GAAMEN1KMT2ACYP1A2LMNA
SCHEMBL1563867 0.71 ALDH1A1 (1.00) ALDH1A1PKMSLC1A2TDP1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed