SCHEMBL10458331

SCHEMBL10458331

C=CCON=C(C)c1ccc(NC(=O)NCC(=O)Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
F7 P08709 2/20 0.38
F2 P00734 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
GPR174 Q9BXC1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NAMPT P43490 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
THRB P10828 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL10457960 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MAPTF7RAB9ANPC1
SCHEMBL10457961 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MAPTF7RAB9ANPC1
SCHEMBL10458351 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1F7F2
SCHEMBL10458350 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1F7F2
SCHEMBL10458695 0.82 MAPT (0.44) SMN1; SMN2HPGDMAPTALDH1A1F7
SCHEMBL10458697 0.82 MAPT (0.44) SMN1; SMN2HPGDMAPTALDH1A1F7
SCHEMBL21753692 0.76 EPHX1 (0.52) SMN1; SMN2HPGDALDH1A1RAB9ANPC1
SCHEMBL10458681 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL10458464 0.75 POLB (0.50) SMN1; SMN2MAPTF7F2RAB9A
SCHEMBL10457954 0.75 MAPT (0.42) SMN1; SMN2MAPTALDH1A1F7RAB9A

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-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed