SCHEMBL7796554

SCHEMBL7796554

C=CC(Cc1ccccc1)NC(=O)Oc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
HTT P42858 1/20 0.49
FPR2 P25090 1/20 0.48
CNR2 P34972 1/20 0.47
KMT2A Q03164 2/20 0.46
LDHA P00338 1/20 0.46
MMP1 P03956 2/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ACHE P22303 1/20 0.44
MAPT P10636 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL7797860 0.91 SLC1A3 (0.46) RAB9ANPC1ACHE
SCHEMBL7797845 0.90 PPARG (0.46) GAARAB9ANPC1TAAR1ALDH1A1
SCHEMBL7789548 0.86 ATM (0.60) ALDH1A1ACHE
SCHEMBL7796647 0.85 CTSK (0.47) RAB9ANPC1TAAR1ALDH1A1
SCHEMBL7799032 0.85 RAB9A (0.53) GAARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7796626 0.83 MEN1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7800119 0.79 CTSK (0.53) RAB9ANPC1TAAR1HTT
SCHEMBL7800081 0.79 MMP8 (0.49) GAA
SCHEMBL5732519 0.77 ATM (0.57) ALDH1A1PPARGPPARAMAPT
SCHEMBL13937947 0.77 ATM (0.57) ALDH1A1PPARGPPARAMAPT

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