SCHEMBL9402455

SCHEMBL9402455

O=C(O)CC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 3/20 0.65
MAPT P10636 3/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
POLB P06746 2/20 0.65
APAF1 O14727 1/20 0.65
RECQL P46063 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 1/20 0.65
MPO P05164 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
HIF1A Q16665 1/20 0.65
MMP2 P08253 2/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP1 P03956 1/20 0.57
DNMT1 P26358 3/20 0.56

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
SCHEMBL7855506 0.91 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29156414 0.89 KDM4E (0.62) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL4989677 0.89 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL2406326 0.85 KDM4E (0.69) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL4987528 0.83 SMN1; SMN2 (0.76) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL9449541 0.83 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29367542 0.82 KDM4E (0.69) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL22357157 0.82 KDM4E (0.69) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL8244909 0.82 KDM4E (0.69) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL1833783 0.82 KDM4E (0.69) SMN1; SMN2KDM4EMAPTKMT2AMEN1

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-5334606-A Analgesics, antiinflammatory agents MERCK SHARPE & DOHME LTD. (GB) 1994-08-02 US disclosed
EP-0545478-A1 Heterocyclic compounds as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 1993-06-09 EP disclosed