SCHEMBL9603067

SCHEMBL9603067

O=C(NCC=C(O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.47
EPHX2 P34913 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
HDAC3 O15379 1/20 0.47
CA12 O43570 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
SCHEMBL5604441 0.83 MTNR1A (0.59) GAALMNAALDH1A1HPGDMTNR1A
SCHEMBL9790435 0.81 MTNR1A (0.57) GAALMNAALDH1A1HPGDMTNR1A
SCHEMBL9790430 0.81 MTNR1A (0.57) GAALMNAALDH1A1HPGDMTNR1A
SCHEMBL9790439 0.81 MTNR1A (0.57) GAALMNAALDH1A1HPGDMTNR1A
SCHEMBL2148188 0.80 GAA (0.63) GAALMNAALDH1A1HPGDERCC1
SCHEMBL22322799 0.79 MTNR1A (0.54) GAALMNAALDH1A1HPGDMTNR1A
SCHEMBL83922 0.78 HPGD (0.86) GAALMNAALDH1A1HPGDNPC1
SCHEMBL9769939 0.78 GAA (0.61) GAALMNAALDH1A1HPGDMTNR1A
SCHEMBL27567042 0.77 GAA (0.59) GAALMNAALDH1A1HPGDERCC1
SCHEMBL9665775 0.77 GAA (0.59) GAALMNAALDH1A1HPGDERCC1

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-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed