SCHEMBL7799085

SCHEMBL7799085

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.39
MLYCD O95822 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
SCN9A Q15858 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7789521 0.87 CTRB1 (0.42) MLYCDNPC1RAB9APOLBKMT2A
SCHEMBL8178600 0.87 CTRB1 (0.42) MLYCDNPC1RAB9APOLBKMT2A
SCHEMBL7799091 0.87 NPC1 (0.40) MLYCDNPC1RAB9AKMT2ALMNA
SCHEMBL8175419 0.87 ATM (0.47) MLYCDRAB9AACEKMT2AMEN1
SCHEMBL8181240 0.87 ATM (0.47) MLYCDRAB9AACEKMT2AMEN1
SCHEMBL7789557 0.87 ATM (0.47) MLYCDRAB9AACEKMT2AMEN1
SCHEMBL7797836 0.85 NPC1 (0.38) MLYCDNPC1RAB9APOLBKMT2A
SCHEMBL7797839 0.85 NPC1 (0.44) MLYCDNPC1RAB9ALMNA
SCHEMBL7789535 0.85 NPC1 (0.38) MLYCDNPC1RAB9AKMT2AALDH1A1
SCHEMBL7789519 0.85 NPC1 (0.41) NPC1RAB9AMMEKMT2ALMNA

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 5 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-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