SCHEMBL9543022

SCHEMBL9543022

COC(=O)C(O)C(Cl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL8925930 0.83 KMT2A (0.60) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL10931910 0.82 RAB9A (0.45) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL5789506 0.81 KMT2A (0.62) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL6874324 0.81 KMT2A (0.62) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL8634836 0.81 KMT2A (0.62) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL8571791 0.81 KMT2A (0.62) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL7626977 0.81 KMT2A (0.53) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL28772271 0.80 KMT2A (0.56) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL6945331 0.80 KMT2A (0.56) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL6945334 0.80 KMT2A (0.56) KMT2ALMNAMEN1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 WO claimed
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 WO disclosed