SCHEMBL8633730

SCHEMBL8633730

CC(C)(C)SC(=O)C(O)C(NC(=O)c1ccccc1)c1ccccc1.O=C(NC(c1ccccc1)C(O)C(=O)S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.48
HPGD P15428 1/20 0.48
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 1/20 0.43
CTRB1 P17538 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL7747812 0.85 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7743250 0.75 LMNA (0.56) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL8635226 0.75 LMNA (0.56) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL14009879 0.74 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL14619952 0.74 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL6277 0.74 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL4164616 0.74 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL8108955 0.74 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL1271236 0.74 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL530337 0.74 LMNA (0.67) 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