SCHEMBL7796444

SCHEMBL7796444

C=CC(Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.56
CAPN1 P07384 2/20 0.56
CTRC Q99895 2/20 0.53
PIN1 Q13526 1/20 0.50
CTSL P07711 4/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
ACE P12821 2/20 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
SCHEMBL7796452 0.90 NPC1 (0.50) CTRB1CAPN1CTRCNPC1RAB9A
SCHEMBL7799032 0.86 RAB9A (0.53) NPC1RAB9A
SCHEMBL40781 0.85 CAPN1 (0.74) CTRB1CAPN1CTRCHPGDACE
SCHEMBL7378642 0.85 CAPN1 (0.74) CTRB1CAPN1CTRCHPGDACE
SCHEMBL7789511 0.85 NPC1 (0.67) NPC1RAB9A
SCHEMBL7626858 0.85 CTRB1 (0.50) CTRB1CAPN1NPC1RAB9AACE
SCHEMBL3554246 0.85 CTRB1 (0.50) CTRB1CAPN1NPC1RAB9AACE
SCHEMBL4413887 0.84 HPGD (0.61) CTRB1CTSLNPC1RAB9AHPGD
SCHEMBL782748 0.83 HPGD (0.45) CTRB1CAPN1RAB9AHPGD
SCHEMBL7796543 0.82 CTRB1 (0.59) CTRB1CTRCCTSSCTSKNPC1

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