SCHEMBL7796562

SCHEMBL7796562

C=CC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
CASP3 P42574 3/20 0.45
AADAT Q8N5Z0 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HSD11B1 P28845 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13937943 1.00 TDP1 (0.58) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7797911 1.00 TDP1 (0.58) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7284629 0.85 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7829080 0.85 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8075909 0.85 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1274991 0.81 TDP1 (0.48) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7800089 0.81 GSK3A (0.44) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL16558903 0.81 CASP3 (0.46) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL12197537 0.81 CASP3 (0.46) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7789570 0.80 ALDH1A1 (0.55) TDP1ALDH1A1GAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482478-B2 Diastereoselective epoxidation of allylically substituted alkenes using metalloporphyrin catalysts THE UNIVERSITY OF HONG KONG (CN) 2009-01-27 US disclosed
US-7482478-B2 Diastereoselective epoxidation of allylically substituted alkenes using metalloporphyrin catalysts THE UNIVERSITY OF HONG KONG (CN) 2009-01-27 US disclosed
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