SCHEMBL8247259

SCHEMBL8247259

CC1(C)OC(=O)C(CCc2ccc([N+](=O)[O-])cc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.45
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 6/20 0.42
KCNJ1 P48048 5/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
MAOA P21397 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL3091631 0.85 GLA (0.61) TSHRKMT2AGLANPSR1LOXL2
SCHEMBL3097535 0.80 GLA (0.48) KMT2AGLANPSR1MAOA
SCHEMBL17171323 0.78 GLA (0.41) TSHRKMT2AGLANPSR1KCNH2
SCHEMBL8240783 0.74 CYP1A2 (0.43) TSHRKMT2ALOXL2CYP1A2CYP2C19
SCHEMBL3092797 0.72 GLA (0.47) GLANPSR1HRH3CYP1A2
SCHEMBL679340 0.72 LOXL2 (0.46) TSHRKMT2AKCNJ1LOXL2CYP1A2
SCHEMBL8247161 0.71 GLA (0.32) GLANPSR1
SCHEMBL3292782 0.71 TSHR (0.75) TSHRKCNH2KCNJ1LOXL2HRH3
SCHEMBL17171322 0.70 SMN1; SMN2 (0.43) TSHRKMT2AKCNH2KCNJ1LOXL2
SCHEMBL28528292 0.70 TSHR (0.53) TSHRKCNH2KCNJ1LOXL2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008037-A1 NOVEL CHROMEN-2-ONE BASED HYDROXAMIC ACID DERIVATIVES HAVING ANTI-INFLAMMATORY ACTIVITY, THE PREPARATION THEREOF AND A COMPOSITION CONTAINING THE SAME FOR TREATING INFLAMMATORY DISEASE JEIL PHARMACEUTICAL CO., LTD. (KR) 2007-01-18 WO disclosed