SCHEMBL11638566

SCHEMBL11638566

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.58
GAA P10253 2/20 0.58
NGFR P08138 2/20 0.50
GPR35 Q9HC97 1/20 0.50
CYP1A2 P05177 1/20 0.49
XDH P47989 1/20 0.44
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.39
PABPC1 P11940 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PLA2G7 Q13093 1/20 0.38
MAPK1 P28482 1/20 0.38
ULK1 O75385 1/20 0.38
NR4A2 P43354 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
SCHEMBL11723446 0.87 GPR35 (0.68) GLAGAANGFRGPR35CYP1A2
SCHEMBL11725265 0.85 GLA (0.57) GLAGAANGFRGPR35CYP1A2
SCHEMBL11721616 0.85 GLA (0.61) GLAGAANGFRGPR35CYP1A2
SCHEMBL11639956 0.85 GLA (0.57) GLAGAANGFRGPR35CYP1A2
SCHEMBL11720192 0.81 GLA (0.53) GLAGAANGFRGPR35CYP1A2
SCHEMBL11807432 0.81 GLA (0.68) GLAGAANGFRGPR35CYP1A2
SCHEMBL11713151 0.81 NGFR (0.51) GLAGAANGFRGPR35CYP1A2
SCHEMBL4987172 0.77 GLA (0.56) GLAGAANGFRGPR35CYP1A2
SCHEMBL2903161 0.76 GLA (0.51) GLAGAANGFRGPR35CYP1A2
SCHEMBL4993673 0.76 GLA (0.51) GLAGAANGFRGPR35CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4126617-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4064248-A TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1977-12-20 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 US disclosed