SCHEMBL7796596

SCHEMBL7796596

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PSMB5 P28074 1/20 0.46
CTRB1 P17538 4/20 0.45
CTSB P07858 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CAPN1 P07384 2/20 0.42
LTA4H P09960 2/20 0.41
CTSL P07711 1/20 0.41
CTSH P09668 1/20 0.41
CTSK P43235 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
SCHEMBL7796605 0.86 PSMB8 (0.56) PSMB5CTSBCTSL
SCHEMBL16153848 0.86 CTSB (0.57) CTSBCAPN1CTSLCTSHCTSK
SCHEMBL7796543 0.84 CTRB1 (0.59) NPC1RAB9ACTRB1TAAR1CTSK
SCHEMBL28055494 0.84 CTRB1 (0.59) NPC1RAB9ACTRB1TAAR1CTSK
SCHEMBL3554246 0.83 CTRB1 (0.50) NPC1RAB9APSMB5CTRB1TAAR1
SCHEMBL7626858 0.83 CTRB1 (0.50) NPC1RAB9APSMB5CTRB1TAAR1
SCHEMBL7797929 0.81 CTSB (0.50) NPC1RAB9ACTRB1CTSBTAAR1
SCHEMBL7796647 0.81 CTSK (0.47) NPC1RAB9ACTRB1CTSBTAAR1
SCHEMBL7800081 0.81 MMP8 (0.49) CTRB1CTSBCTSLCTSHCTSK
SCHEMBL7799013 0.80 CTSB (0.46) NPC1RAB9ACTRB1CTSBTAAR1

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