SCHEMBL8971265

SCHEMBL8971265

COc1ccc(CCOc2cc(NC(C)=O)c(Cl)cc2CC(=O)CCCCl)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.38
AGER Q15109 1/20 0.38
LMNA P02545 1/20 0.38
CDK8 P49336 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8971982 0.91 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KMT2AMAPTAGER
SCHEMBL8971536 0.90 MGAT2 (0.44) ALDH1A1KMT2AMAPTLMNA
SCHEMBL8971117 0.85 AGER (0.47) SMN1; SMN2ALDH1A1KMT2AMAPTHPGD
SCHEMBL7350242 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AMAPTHPGD
SCHEMBL8970849 0.82 KDM4E (0.50) SMN1; SMN2ALDH1A1KMT2AMAPTCA1
SCHEMBL8970918 0.79 MTNR1B (0.43) SMN1; SMN2ALDH1A1KMT2AMAPTAGER
SCHEMBL8970733 0.78 AGER (0.43) SMN1; SMN2ALDH1A1KMT2AMAPTHPGD
SCHEMBL8971050 0.73 PGK1 (0.39) SMN1; SMN2ALDH1A1KMT2AMAPTCA1
SCHEMBL7354465 0.72 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTHPGDAGER
SCHEMBL7359351 0.72 MGAT2 (0.47) SMN1; SMN2ALDH1A1KMT2AMAPTHPGD

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
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed