SCHEMBL9334010

SCHEMBL9334010

C[C@@H](O)c1cc([C@@H](C)O)cc([C@@H](C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.46
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NOX1 Q9Y5S8 1/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 5/20 0.32
RECQL P46063 4/20 0.32
TDP1 Q9NUW8 4/20 0.32
MAPT P10636 3/20 0.32
HIF1A Q16665 3/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9331671 1.00 UGT2B7 (0.46) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL9331613 1.00 UGT2B7 (0.46) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL19667844 0.85 GABRA1 (0.42) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL19667846 0.85 GABRA1 (0.42) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL544301 0.81 ADRB2 (0.50) UGT2B7KMT2AMEN1LMNAHIF1A
SCHEMBL7591087 0.81 UGT2B7 (0.39) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL13677507 0.81 ALDH1A1 (0.43) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL14469274 0.81 ALDH1A1 (0.43) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL1721607 0.81 ALDH1A1 (0.43) UGT2B7NOS3NOS1KMT2AMEN1
SCHEMBL9334664 0.81 UGT2B7 (0.56) UGT2B7KMT2AMEN1LMNAALDH1A1

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
US-5280096-A Optically active polymer UNIVERSITY OF NEW MEXICO (US) 1994-01-18 US disclosed
US-5166062-A Reaction a mixture of acyl esters with enzymes and selectively deacylating followed by separation UNIVERSITY OF NEW MEXICO (US) 1992-11-24 US disclosed