SCHEMBL6607746

SCHEMBL6607746

CCOC(=O)CNc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
AGTR1 P30556 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 3/20 0.49
HPGD P15428 4/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PPID Q08752 1/20 0.46
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ELANE P08246 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL31518574 0.87 KDM4E (0.58) ALDH1A1KDM4EAGTR1RAB9AKMT2A
SCHEMBL6610969 0.87 KDM4E (0.54) ALDH1A1KDM4EAGTR1RAB9AKMT2A
SCHEMBL11771339 0.84 MAPT (0.56) ALDH1A1KDM4EKMT2APOLBSMN1; SMN2
SCHEMBL9742572 0.84 TSHR (0.61) ALDH1A1KDM4EKMT2AHPGDHTT
SCHEMBL5807040 0.84 KDM4E (0.53) ALDH1A1KDM4EAGTR1RAB9AKMT2A
SCHEMBL4354505 0.83 KDM4E (0.50) ALDH1A1KDM4EAGTR1RAB9AKMT2A
SCHEMBL7528637 0.82 KDM4E (0.71) ALDH1A1KDM4EKMT2AHPGDPOLB
SCHEMBL4716443 0.82 MEN1 (0.52) ALDH1A1KDM4EAGTR1RAB9AKMT2A
SCHEMBL7860463 0.82 KDM4E (0.49) ALDH1A1KDM4EAGTR1RAB9AKMT2A
SCHEMBL6653449 0.81 MAPK13 (0.51) ALDH1A1KDM4ERAB9AKMT2AHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP disclosed
EP-1352899-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-1352900-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-0912504-B1 Oxazolidine ester UPJOHN CO (US) 2002-09-11 EP disclosed
US-6307064-B1 PHENYLISOSERINE ESTER OF SILYLATED BACCATIN III PHARMACIA & UPJOHN COMPANY 2001-10-23 US disclosed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP disclosed
US-6177573-B1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2001-01-23 US disclosed
US-6057452-A Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2000-05-02 US disclosed