SCHEMBL11811478

SCHEMBL11811478

O=C(O)c1cc(=O)c2ccc3c(ccc4c(=O)cc(C(=O)O)[nH]c43)c2[nH]1.OCC(CO)(CO)NC(CO)(CO)CO.OCC(CO)(CO)NC(CO)(CO)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.54
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
AHR P35869 1/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL11810085 0.84 GPR35 (0.70) GPR35KDM4ETDP1MEN1HPGD
SCHEMBL11641176 0.83 GPR35 (0.73) GPR35KDM4ETDP1MEN1HPGD
SCHEMBL11640411 0.81 GPR35 (0.49) GPR35KDM4ETDP1MEN1HPGD
SCHEMBL11814201 0.76 GPR35 (0.59) GPR35KDM4ETDP1MEN1HPGD
SCHEMBL11814202 0.75 GPR35 (0.57) GPR35KDM4ETDP1MEN1HPGD
SCHEMBL9069080 0.70 GPR35 (1.00) GPR35KDM4ETDP1MEN1HPGD
SCHEMBL11807432 0.69 GLA (0.68) GPR35KDM4ETDP1HPGDGLA
SCHEMBL11811454 0.68 GPR35 (0.49) GPR35KDM4ETDP1MEN1HPGD
Xanthurenate SCHEMBL4455363 0.68 KDM4E (1.00) GPR35KDM4ETDP1MEN1HPGD
SCHEMBL1759095 0.67 KDM4E (0.69) GPR35KDM4ETDP1MEN1HPGD

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-3953598-A ASTHMA OR RHINITIS TREATMENT THE UPJOHN COMPANY (US) 1976-04-27 US claimed