SCHEMBL4749285

SCHEMBL4749285

CCOC(=O)C(C(=O)OCC)=C(C)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
NPC1 O15118 1/20 0.68
CRHBP P24387 1/20 0.68
RAB9A P51151 1/20 0.68
CRHR2 Q13324 1/20 0.68
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
LMNA P02545 2/20 0.59
THRB P10828 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.54
RNF4 P78317 1/20 0.51
EPHX1 P07099 1/20 0.51
PGR P06401 1/20 0.50
NPY5R Q15761 1/20 0.50
CYP19A1 P11511 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TGM2 P21980 1/20 0.48

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
SCHEMBL18707907 0.90 CYP19A1 (0.54) HPGDNPC1CRHBPRAB9ACRHR2
SCHEMBL11536521 0.84 HPGD (0.73) HPGDNPC1CRHBPRAB9ACRHR2
SCHEMBL9091689 0.81 RAB9A (1.00) HPGDNPC1CRHBPRAB9ACRHR2
SCHEMBL18549331 0.80 MAPT (0.49) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL21430760 0.80 POLB (0.58) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8512504 0.79 GAA (0.54) HPGDNPC1CRHBPRAB9ACRHR2
SCHEMBL9607477 0.79 GAA (0.54) HPGDNPC1CRHBPRAB9ACRHR2
SCHEMBL10987231 0.77 MAPT (0.71) HPGDNPC1CRHBPRAB9ACRHR2
SCHEMBL11510257 0.77 MAPT (0.71) HPGDNPC1CRHBPRAB9ACRHR2
SCHEMBL11715338 0.77 ALDH1A1 (0.68) HPGDNPC1CRHBPRAB9ACRHR2

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
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed