SCHEMBL7800072

SCHEMBL7800072

CC(C)[C@@H]([C]=O)NC(=O)NCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALOX15 P16050 1/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP3A4 P08684 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 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
SCHEMBL7800068 1.00 NPC1 (0.55) NPC1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL7799015 0.89 POLB (0.60) NPC1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL7799019 0.89 POLB (0.60) NPC1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL7800076 0.81 NPSR1 (0.43) NPC1ALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL6446955 0.80 NPC1 (0.58) NPC1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL6446960 0.80 NPC1 (0.58) NPC1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL7208269 0.79 MAPT (0.58) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATSHR
SCHEMBL7750031 0.79 SMN1; SMN2 (0.65) NPC1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL6443300 0.78 SMN1; SMN2 (0.60) NPC1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL6443302 0.78 SMN1; SMN2 (0.60) NPC1ALDH1A1POLBSMN1; SMN2RAB9A

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