SCHEMBL8633733

SCHEMBL8633733

CC(C)(C)OC(=S)[C@@H](O)[C@H](NC(=O)c1ccccc1)c1ccccc1.O=C(NC(c1ccccc1)C(O)C(O)=S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
HPGD P15428 1/20 0.48
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
CTRB1 P17538 4/20 0.39
PRSS1 P07477 3/20 0.39
CTSG P08311 3/20 0.39
CMA1 P23946 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 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
SCHEMBL7747874 0.85 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7747815 0.85 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7747396 0.83 CTSK (0.48) MAPT
SCHEMBL7748905 0.82 CTSK (0.49) MAPT
SCHEMBL7747407 0.82 CTSK (0.49) MAPT
SCHEMBL7748967 0.79 LMNA (0.55) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL8635675 0.79 LMNA (0.55) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7743253 0.79 LMNA (0.55) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL8635229 0.79 LMNA (0.55) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7743265 0.79 LMNA (0.55) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2

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
US-5767282-A Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.P.A. (IT) 1998-06-16 US disclosed