SCHEMBL8512504

SCHEMBL8512504

CCOC(=O)/C(C)=C(/C)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CYP19A1 P11511 3/20 0.52
MAPT P10636 4/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
NAPRT Q6XQN6 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9607477 1.00 GAA (0.54) GAANPC1RAB9AHPGDCRHBP
SCHEMBL18707907 0.88 CYP19A1 (0.54) GAANPC1RAB9AHPGDCRHBP
SCHEMBL20195801 0.84 KDM4E (0.51) GAANPC1RAB9AHPGDCRHBP
SCHEMBL2488639 0.81 MAPT (0.70) GAAHPGDCYP19A1MAPTTDP1
SCHEMBL13381411 0.81 ALDH1A1 (0.56) GAANPC1RAB9AHPGDCRHBP
Ethyl Phenylcarbamate SCHEMBL264865 0.80 RAB9A (0.75) GAANPC1RAB9AHPGDCRHBP
Ethyl Phenylcarbamate SCHEMBL11593824 0.80 RAB9A (0.75) GAANPC1RAB9AHPGDCRHBP
SCHEMBL7488992 0.80 MAPT (0.49) GAAHPGDCYP19A1MAPTTDP1
SCHEMBL11801755 0.80 MAPT (0.49) GAAHPGDCYP19A1MAPTTDP1
Hydrochloric Acid SCHEMBL7020139 0.79 MAPT (0.68) GAAHPGDCYP19A1MAPTTDP1

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-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed