SCHEMBL8911287

SCHEMBL8911287

C=C(C)C(=O)OCCNC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL24178814 0.86 HDAC1 (0.52) HDAC6SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL14368851 0.86 NPC1 (0.55) HDAC6SMN1; SMN2HPGDNPSR1ALDH1A1
Phosphoric Acid SCHEMBL7716499 0.84 SMN1; SMN2 (0.59) SMN1; SMN2HPGDNPSR1ALDH1A1NPC1
SCHEMBL15856847 0.81 LMNA (0.43) HDAC6SMN1; SMN2NPSR1ALDH1A1KMT2A
SCHEMBL16693227 0.80 LMNA (0.50) HDAC6SMN1; SMN2HPGDNPSR1ALDH1A1
SCHEMBL21246818 0.80 NPC1 (0.56) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL8910837 0.80 GAA (0.51) SMN1; SMN2NPSR1ALDH1A1NPC1RAB9A
SCHEMBL15853473 0.80 TAAR1 (0.42) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL16693290 0.79 HDAC3 (0.49) SMN1; SMN2HPGDNPSR1ALDH1A1NPC1
SCHEMBL8016168 0.79 KMT2A (0.53) SMN1; SMN2HPGDNPSR1ALDH1A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5609970-A GENERATING ELECTROMAGNETIC RADIATION POLAROID CORPORATION (US) 1997-03-11 US claimed
US-5609970-A GENERATING ELECTROMAGNETIC RADIATION POLAROID CORPORATION (US) 1997-03-11 US disclosed