SCHEMBL6607753

SCHEMBL6607753

CCOC(=O)CN(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.49
ADRA2C P18825 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.43
PRSS12 P56730 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
SCHEMBL27601299 0.90 SMN1; SMN2 (0.51) SMN1; SMN2GAAALDH1A1HPGDMEN1
SCHEMBL7417406 0.86 ALDH1A1 (0.70) SMN1; SMN2GAAHTTALDH1A1MEN1
SCHEMBL5807041 0.84 SMN1; SMN2 (0.60) SMN1; SMN2GAAALDH1A1TSHRGLA
SCHEMBL6901552 0.84 SMN1; SMN2 (0.60) SMN1; SMN2GAAALDH1A1TSHRGLA
SCHEMBL6609664 0.84 ADRA2C (0.51) SMN1; SMN2GAAADRA2CHTTALDH1A1
SCHEMBL9366543 0.83 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1TSHRGLA
SCHEMBL8103391 0.83 ALDH1A1 (0.53) SMN1; SMN2GAAHTTALDH1A1MEN1
SCHEMBL11437661 0.83 SMN1; SMN2 (0.59) SMN1; SMN2GAAALDH1A1TSHRGLA
SCHEMBL6382412 0.83 SMN1; SMN2 (0.59) SMN1; SMN2GAAALDH1A1TSHRGLA
SCHEMBL20169531 0.83 SMN1; SMN2 (0.59) SMN1; SMN2GAAALDH1A1TSHRGLA

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-1352900-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-1352899-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