SCHEMBL8635226

SCHEMBL8635226

O=C(NC(c1ccccc1)C(O)C(=O)Sc1ccccc1)c1ccccc1.O=C(NC(c1ccccc1)C(O)C(=O)Sc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
HPGD P15428 1/20 0.56
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
CTRB1 P17538 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
HPGDS O60760 1/20 0.42
EPHX2 P34913 1/20 0.39
SLC1A2 P43004 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL7743250 1.00 LMNA (0.56) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL4164616 0.81 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL27882748 0.81 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL1271236 0.81 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL6277 0.81 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL8108955 0.81 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL530337 0.81 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28442347 0.80 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Water SCHEMBL8429009 0.80 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL7747815 0.78 LMNA (0.63) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1

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