SCHEMBL7797822

SCHEMBL7797822

C=CC(Cc1ccccc1)NC(=O)OCc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.53
CTSK P43235 2/20 0.53
CTRB1 P17538 2/20 0.52
TGM2 P21980 1/20 0.50
CTSB P07858 4/20 0.49
CTSS P25774 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL10508932 0.92 CTRB1 (0.59) CTSLCTSKCTRB1CTSBCTSS
SCHEMBL6220038 0.92 CTRB1 (0.59) CTSLCTSKCTRB1CTSBCTSS
SCHEMBL6712580 0.92 CTRB1 (0.59) CTSLCTSKCTRB1CTSBCTSS
SCHEMBL7789548 0.88 ATM (0.60) CTSLCTSKCTRB1CTSBCTSS
SCHEMBL7800081 0.85 MMP8 (0.49) CTSLCTSKCTRB1CTSBGAA
SCHEMBL9741528 0.84 CTRB1 (0.59) CTSLCTSKCTRB1CTSBCTSS
SCHEMBL7797845 0.84 PPARG (0.46) CTSLCTSKCTSBALDH1A1GAA
SCHEMBL13672333 0.82 ALDH1A1 (0.54) CTSLCTSKCTRB1TGM2CTSB
SCHEMBL5929819 0.81 CTRB1 (0.48) CTSLCTSKCTRB1CTSBCTSS
SCHEMBL5857579 0.81 CTRB1 (0.48) CTSLCTSKCTRB1CTSBCTSS

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