SCHEMBL7789548

SCHEMBL7789548

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
CTSL P07711 4/20 0.54
CTSS P25774 3/20 0.54
CTSK P43235 3/20 0.54
HDAC8 Q9BY41 1/20 0.52
CTRB1 P17538 2/20 0.50
F2 P00734 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ALOX15 P16050 1/20 0.49
CTSD P07339 1/20 0.48
CTSB P07858 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL6220038 0.90 CTRB1 (0.59) CTSLCTSSCTSKCTRB1ALDH1A1
SCHEMBL10508932 0.90 CTRB1 (0.59) CTSLCTSSCTSKCTRB1ALDH1A1
SCHEMBL6712580 0.90 CTRB1 (0.59) CTSLCTSSCTSKCTRB1ALDH1A1
SCHEMBL3132690 0.89 ATM (0.61) ATMCTSLCTSSCTSKHDAC8
SCHEMBL7797822 0.88 CTSL (0.53) CTSLCTSSCTSKCTRB1ALDH1A1
SCHEMBL7796554 0.86 GAA (0.53) ALDH1A1ACHE
SCHEMBL14370508 0.83 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL14370505 0.83 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL29137641 0.83 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL9741528 0.82 CTRB1 (0.59) ATMCTSLCTSSCTSKCTRB1

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