SCHEMBL11720192

SCHEMBL11720192

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.53
GAA P10253 2/20 0.53
GPR35 Q9HC97 1/20 0.45
CYP1A2 P05177 2/20 0.44
XDH P47989 1/20 0.40
NGFR P08138 1/20 0.40
KDM4E B2RXH2 7/20 0.39
MAPT P10636 3/20 0.39
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
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
BRD4 O60885 1/20 0.37
PLA2G7 Q13093 2/20 0.36
ATM Q13315 1/20 0.36
ULK1 O75385 1/20 0.35

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
SCHEMBL11719392 0.83 GAA (0.45) GLAGAAGPR35CYP1A2XDH
SCHEMBL11641823 0.81 GPR35 (0.63) GLAGAAGPR35CYP1A2NGFR
SCHEMBL11723446 0.81 GPR35 (0.68) GLAGAAGPR35CYP1A2XDH
SCHEMBL11638566 0.81 GLA (0.58) GLAGAAGPR35CYP1A2XDH
SCHEMBL11721616 0.80 GLA (0.61) GLAGAAGPR35CYP1A2XDH
SCHEMBL11639956 0.80 GLA (0.57) GLAGAAGPR35CYP1A2XDH
SCHEMBL11725265 0.80 GLA (0.57) GLAGAAGPR35CYP1A2XDH
SCHEMBL11807432 0.76 GLA (0.68) GLAGAAGPR35CYP1A2XDH
SCHEMBL4987172 0.72 GLA (0.56) GLAGAAGPR35CYP1A2XDH
SCHEMBL2903161 0.71 GLA (0.51) GLAGAAGPR35CYP1A2XDH

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