SCHEMBL11713151

SCHEMBL11713151

COC(=O)c1cc(=O)c2c(C)c3c(=O)cc(C(=O)OC)[nH]c3c(C(=O)OC)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 2/20 0.51
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 4/20 0.48
CYP1A2 P05177 1/20 0.46
XDH P47989 1/20 0.46
GPR35 Q9HC97 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36
MAPK1 P28482 1/20 0.36
NR4A2 P43354 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL11714206 0.86 KDM4E (0.50) NGFRGLAGAAKDM4ECYP1A2
SCHEMBL11719392 0.82 GAA (0.45) NGFRGLAGAAKDM4ECYP1A2
SCHEMBL11638566 0.81 GLA (0.58) NGFRGLAGAAKDM4ECYP1A2
SCHEMBL11723446 0.78 GPR35 (0.68) NGFRGLAGAAKDM4ECYP1A2
SCHEMBL11718229 0.76 GPR35 (0.60) NGFRKDM4ECYP1A2GPR35HPGD
SCHEMBL11409016 0.74 GAA (0.66) NGFRGLAGAAKDM4ECYP1A2
SCHEMBL11807432 0.72 GLA (0.68) NGFRGLAGAAKDM4ECYP1A2
SCHEMBL9452301 0.71 KDM4E (0.47) GLAGAAKDM4ECYP1A2XDH
SCHEMBL2903161 0.71 GLA (0.51) NGFRGLAGAAKDM4ECYP1A2
SCHEMBL51079 0.71 GAA (0.61) NGFRGLAGAAKDM4ECYP1A2

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 2 patents. 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
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 US disclosed