SCHEMBL11739463

SCHEMBL11739463

Cc1cc2c3c([nH]c2cc1Cl)C(C(=O)O)CCC3

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 15/20 0.67
SIRT2 Q8IXJ6 5/20 0.53
SIRT3 Q9NTG7 2/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL4725233 0.91 SIRT1 (0.64) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL4726705 0.86 SIRT1 (0.59) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL4726038 0.84 SIRT1 (0.59) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL1872225 0.81 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL1674922 0.81 SIRT1 (0.79) SIRT1SIRT2SIRT3MEN1KMT2A
SCHEMBL1875568 0.81 SIRT1 (0.64) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL4728208 0.79 SIRT1 (0.73) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL11738069 0.79 SIRT1 (0.56) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL4726880 0.78 MEN1 (0.76) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL1873883 0.76 SIRT1 (0.79) SIRT1SIRT2SIRT3RECQLMEN1

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-4057640-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3956295-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed