SCHEMBL7307871

SCHEMBL7307871

O=C(CCCCl)NC1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.74
HDAC3 O15379 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
NCOR2 Q9Y618 1/20 0.62
ALDH1A1 P00352 2/20 0.61
HPGD P15428 3/20 0.59
EPHX2 P34913 3/20 0.55
EPHX1 P07099 2/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL2990613 0.94 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL9639138 0.88 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL28668503 0.88 SMN1; SMN2 (0.95) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL9337868 0.88 SMN1; SMN2 (0.95) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL38658755 0.86 SMN1; SMN2 (0.91) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL10587847 0.83 ALDH1A1 (0.83) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL7693790 0.82 SMN1; SMN2 (0.77) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL6549000 0.82 SMN1; SMN2 (0.84) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL27892098 0.82 ALDH1A1 (0.81) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL25825789 0.82 SMN1; SMN2 (0.77) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10

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-4298739-A ANTICOAGULANTS, ANTIINFLAMMATORY, ANTIULCER, VASODILATOR, PHOSPHODIESTERASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-03 US disclosed
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed