SCHEMBL4429591

SCHEMBL4429591

COC(=O)c1ccc(C(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GLA P06280 2/20 0.51
MAPT P10636 3/20 0.43
KDM5A P29375 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 1/20 0.37
NR4A2 P43354 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B2 P37059 2/20 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
SCHEMBL4429520 0.84 KDM4E (0.42) GAAKDM4EALDH1A1HSD17B2HPGD
SCHEMBL4431487 0.83 KDM4E (0.54) GAAKDM4EGLAMAPTALDH1A1
SCHEMBL4437347 0.81 GAA (0.51) GAAKDM4EGLAMAPTALDH1A1
SCHEMBL4427283 0.79 KDM4E (0.47) GAAKDM4EGLAMAPTKDM5A
SCHEMBL4438805 0.77 HSD17B2 (0.48) GAAKDM4EGLARAB9AHSD17B2
SCHEMBL4436626 0.76 CFTR (0.46) GAAKDM4EGLAMAPTALDH1A1
SCHEMBL4898553 0.76 KDM4E (0.60) GAAKDM4EGLAMAPTALDH1A1
SCHEMBL4426018 0.73 KDM4E (0.49) GAAKDM4EGLAMAPTALDH1A1
SCHEMBL4430946 0.72 HSD17B2 (0.46) GAAKDM4EKDM5AALDH1A1HSD17B2
SCHEMBL4734537 0.72 KDM4E (0.68) GAAKDM4EGLAMAPTALDH1A1

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
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed