SCHEMBL8520231

SCHEMBL8520231

CC(CCc1ccccc1)Nc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ABCC1 P33527 1/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL28874209 0.84 KMT2A (0.49) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL1901606 0.82 CLCN2 (0.53) POLBSMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4206737 0.80 MAPT (0.65) POLBKMT2AMEN1ALDH1A1NPC1
SCHEMBL13981500 0.80 OPRK1 (0.53) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL10935785 0.78 KDM4E (0.46) POLBKMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL4750853 0.78 OPRK1 (0.51) POLBSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1899962 0.77 KMT2A (0.54) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6083135 0.76 KMT2A (0.48) KMT2AMEN1HTTHPGDALDH1A1
SCHEMBL10937427 0.76 SLC16A3 (0.47) POLBSMN1; SMN2KMT2AMEN1HTT
SCHEMBL10439728 0.76 SMN1; SMN2 (0.46) POLBSMN1; SMN2KMT2AMEN1HTT

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
EP-0938492-A1 COMBINATORIAL SYNTHESIS OF CARBOHYDRATE LIBRARIES SYNSORB Biotech Inc. (CA) 1999-09-01 EP disclosed
WO-1998022487-A1 COMBINATORIAL SYNTHESIS OF CARBOHYDRATE LIBRARIES SYNSORB BIOTECH, INC. (CA) 1998-05-28 WO disclosed