SCHEMBL7789519

SCHEMBL7789519

CC(C)C(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP9 P14780 1/20 0.36
MME P08473 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CTRB1 P17538 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL7797839 0.89 NPC1 (0.44) NPC1RAB9ALMNAMMP9
SCHEMBL7799091 0.88 NPC1 (0.40) NPC1RAB9AL3MBTL1LMNAMMP9
SCHEMBL7789521 0.88 CTRB1 (0.42) NPC1RAB9AL3MBTL1LMNAKMT2A
SCHEMBL8178600 0.88 CTRB1 (0.42) NPC1RAB9AL3MBTL1LMNAKMT2A
SCHEMBL7789535 0.86 NPC1 (0.38) NPC1RAB9ALMNAKMT2A
SCHEMBL7797836 0.86 NPC1 (0.38) NPC1RAB9AL3MBTL1LMNACYP3A4
SCHEMBL8178968 0.86 NPC1 (0.38) NPC1RAB9AL3MBTL1LMNACYP3A4
SCHEMBL7797842 0.86 NPC1 (0.39) NPC1RAB9AL3MBTL1LMNACYP3A4
SCHEMBL7799010 0.85 POLB (0.37) NPC1RAB9AL3MBTL1LMNAKMT2A
SCHEMBL7799085 0.85 PTPRB (0.39) NPC1RAB9ALMNACYP3A4MME

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