SCHEMBL7399375

SCHEMBL7399375

COC(=O)C1CC(c2ccc(OC)c(OC)c2)=NO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 1.00
MAPT P10636 4/20 0.72
KDM4E B2RXH2 2/20 0.72
GAA P10253 1/20 0.72
HSD17B10 Q99714 1/20 0.72
MAPK1 P28482 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 2/20 0.65
PKM P14618 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
CYP2C19 P33261 1/20 0.65
MAPK10 P53779 1/20 0.65
PDE4A P27815 3/20 0.64
PDE4B Q07343 3/20 0.64
PDE4C Q08493 3/20 0.64
PDE4D Q08499 3/20 0.64
HTT P42858 2/20 0.63

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
SCHEMBL18288854 0.89 PDE4A (0.84) MIFMAPTKDM4EGAAHSD17B10
SCHEMBL25280295 0.88 MIF (0.78) MIFMAPTKDM4EGAAHSD17B10
SCHEMBL30457212 0.84 MIF (0.71) MIFMAPTKDM4EGAAHSD17B10
SCHEMBL25237352 0.84 MIF (0.71) MIFMAPTKDM4EGAAHSD17B10
SCHEMBL18279371 0.82 USP2 (0.76) MIFMAPTKDM4EGAAHSD17B10
SCHEMBL14329797 0.82 MIF (0.69) MIFMAPTKDM4EGAAHSD17B10
SCHEMBL17010387 0.81 USP2 (0.78) MIFMAPTKDM4EGAAHSD17B10
SCHEMBL22861383 0.81 MIF (1.00) MIFCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12556064 0.81 MIF (1.00) MIFCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17010357 0.80 TSHR (0.78) MIFMAPTKDM4EGAAHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114367-A SUCH AS 3-(3-CYCLOPENTYLOXY-4-METHOXY)PHENYL-2-ISOXAZOLINE-5-HYDROXAMIC ACID; TREATING SEPSIS, SEPTIC SHOCK, INFLAMMATORY BOWEL DISEASE, TUBERCULOSIS, GRAFT VERSUS HOST DISEASE OR CACHEXIA ASSOCIATED WITH AIDS OR CANCER IN A MAMMAL PFIZER INC (US) 2000-09-05 US disclosed
US-5869511-A Isoxazoline compounds as inhibitors of TNF release PFIZER INC. (US) 1999-02-09 US disclosed
EP-0749428-B1 ISOXAZOLINE COMPOUNDS AS INHIBITORS OF TNF RELEASE PFIZER (US) 1998-07-29 EP disclosed
US-5716967-A SELECTIVE INHIBITOR OF PHOSPHODIESTERASE TYPE 4, USEFUL IN TREATMENT OF ASTHMA, ARTHRITIS, BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, PSORIASIS, ALLERGIC RHINITIS, DERMATITIS OR SHOCK PFIZER INC. (US) 1998-02-10 US disclosed
EP-0730588-B1 ISOXAZOLINE COMPOUNDS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1997-07-02 EP disclosed
EP-0749428-A1 ISOXAZOLINE COMPOUNDS AS INHIBITORS OF TNF RELEASE PFIZER INC. (US) 1996-12-27 EP disclosed
EP-0730588-A1 ISOXAZOLINE COMPOUNDS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1996-09-11 EP disclosed
WO-1995024398-A1 ISOXAZOLINE COMPOUNDS AS INHIBITORS OF TNF RELEASE PFIZER INC. (US) 1995-09-14 WO disclosed
WO-1995014681-A1 ISOXAZOLINE COMPOUNDS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1995-06-01 WO disclosed