SCHEMBL6582986

SCHEMBL6582986

COc1ccc(C(=O)N(CC(=O)Oc2ccccc2Cl)Cc2ccc(OC)cc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
LPAR1 Q92633 6/20 0.44
LPAR5 Q9H1C0 6/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6982829 0.85 KDM4E (0.51) TDP1ALDH1A1KDM4ELPAR1LPAR5
SCHEMBL5396573 0.75 TDP1 (0.50) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5399746 0.74 TDP1 (0.47) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5410659 0.72 TDP1 (0.53) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL14357373 0.71 TDP1 (0.55) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL15366455 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5243554 0.70 ALDH1A1 (0.48) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL14357374 0.69 ALDH1A1 (0.53) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5399087 0.69 ALDH1A1 (0.53) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5706251 0.69 L3MBTL1 (0.58) TDP1ALDH1A1KMT2ASMN1; SMN2MAPT

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
EP-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed