SCHEMBL9220932

SCHEMBL9220932

COc1ccc(C(c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
RAB9A P51151 3/20 0.49
GAA P10253 3/20 0.49
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MDM2 Q00987 1/20 0.46
KLK7 P49862 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9220926 0.87 EPHX2 (0.56) EPHX2RAB9AGAANPC1L3MBTL1
SCHEMBL2744871 0.85 EPHX2 (0.58) EPHX2KMT2AMDM2CASP3
SCHEMBL30414045 0.85 EPHX2 (0.58) EPHX2KMT2AMDM2CASP3
SCHEMBL9225114 0.82 FABP5 (0.44) EPHX2RAB9AGAANPC1L3MBTL1
SCHEMBL28559900 0.82 POLB (0.51) EPHX2RAB9AGAANPC1L3MBTL1
SCHEMBL22635803 0.81 KMT2A (0.56) EPHX2RAB9AGAANPC1L3MBTL1
SCHEMBL27644637 0.81 EPHX2 (0.59) EPHX2RAB9AGAANPC1L3MBTL1
SCHEMBL14647849 0.80 EPHX2 (0.64) EPHX2RAB9ANPC1KMT2AALDH1A1
SCHEMBL694267 0.80 EPHX2 (0.64) EPHX2RAB9ANPC1KMT2AMDM2
SCHEMBL8366871 0.80 EPHX2 (0.64) EPHX2RAB9ANPC1LMNAKMT2A

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-5410068-A Protecting groups for natural products PERSEPTIVE BIOSYSTEMS, INC. (US) 1995-04-25 US disclosed