SCHEMBL7789499

SCHEMBL7789499

CC(C)[C@@H]([C]=O)NC(=O)OCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.47
FAAH O00519 1/20 0.47
NAMPT P43490 1/20 0.46
ACACB O00763 1/20 0.45
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
GPR132 Q9UNW8 3/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL7796461 1.00 CYP3A4 (0.54) CYP3A4ALDH1A1MEN1LMNAMAPT
SCHEMBL7796442 0.84 NAMPT (0.48) NAMPTCTSLCTSBATM
SCHEMBL7796441 0.84 NAMPT (0.48) NAMPTCTSLCTSBATM
SCHEMBL7300987 0.84 ATM (0.56) CTSLCTSBATM
SCHEMBL1152786 0.84 ATM (0.56) CTSLCTSBATM
SCHEMBL27480845 0.84 CYP3A4 (0.53) CYP3A4ALDH1A1MEN1LMNAMAPT
SCHEMBL7269609 0.81 GPR132 (0.61) CYP3A4ALDH1A1MEN1LMNAMAPT
SCHEMBL6447561 0.81 ALDH1A1 (0.55) CYP3A4ALDH1A1MEN1LMNAMAPT
SCHEMBL7269614 0.81 GPR132 (0.61) CYP3A4ALDH1A1MEN1LMNAMAPT
SCHEMBL6447557 0.81 ALDH1A1 (0.55) CYP3A4ALDH1A1MEN1LMNAMAPT

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