SCHEMBL7800089

SCHEMBL7800089

C=CC(Cc1ccccc1)N1C(=O)C=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.44
GSK3B P49841 4/20 0.44
MGLL Q99685 3/20 0.44
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
FAAH O00519 1/20 0.38
EPHX1 P07099 2/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CPA3 P15088 1/20 0.36
FOLH1 Q04609 1/20 0.36
CASP3 P42574 1/20 0.36
ANPEP P15144 1/20 0.35

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
SCHEMBL7789570 0.81 ALDH1A1 (0.55) TDP1MEN1KMT2AALDH1A1PKM
SCHEMBL7797911 0.81 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1PKM
SCHEMBL7796562 0.81 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1PKM
SCHEMBL13937943 0.81 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1PKM
SCHEMBL15229668 0.77 EPHX1 (0.41) GSK3AGSK3BMGLLTDP1MEN1
SCHEMBL8854355 0.73 ALDH1A1 (0.55) MEN1KMT2AALDH1A1GAA
SCHEMBL27458809 0.73 TDP1 (0.66) GSK3AGSK3BMGLLTDP1MEN1
SCHEMBL9356396 0.70 BCL2L2 (0.54) KMT2AALDH1A1PKMGAAPOLB
SCHEMBL9326774 0.70 ALDH1A1 (0.68) TDP1MEN1KMT2AALDH1A1PKM
SCHEMBL8873673 0.70 ALDH1A1 (0.68) TDP1MEN1KMT2AALDH1A1PKM

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