SCHEMBL11723446

SCHEMBL11723446

COC(=O)c1cc(=O)c2cc3c(=O)cc(C(=O)OC)[nH]c3c(C)c2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.68
GLA P06280 2/20 0.58
GAA P10253 2/20 0.58
CYP1A2 P05177 1/20 0.49
XDH P47989 1/20 0.48
NGFR P08138 2/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
PLA2G7 Q13093 4/20 0.38
MAPK1 P28482 1/20 0.38
ULK1 O75385 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL11638566 0.87 GLA (0.58) GPR35GLAGAACYP1A2XDH
SCHEMBL11721616 0.85 GLA (0.61) GPR35GLAGAACYP1A2XDH
SCHEMBL11639956 0.85 GLA (0.57) GPR35GLAGAACYP1A2XDH
SCHEMBL11725265 0.85 GLA (0.57) GPR35GLAGAACYP1A2XDH
SCHEMBL11640545 0.84 GPR35 (0.64) GPR35GLAGAACYP1A2KDM4E
SCHEMBL2903161 0.82 GLA (0.51) GPR35GLAGAACYP1A2XDH
SCHEMBL11720192 0.81 GLA (0.53) GPR35GLAGAACYP1A2XDH
SCHEMBL11807432 0.81 GLA (0.68) GPR35GLAGAACYP1A2XDH
SCHEMBL11068615 0.81 GLA (0.47) GPR35GLAGAACYP1A2XDH
SCHEMBL11641819 0.81 GPR35 (1.00) GPR35GLAGAACYP1A2NGFR

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
US-4064248-A TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1977-12-20 US disclosed