SCHEMBL9331663

SCHEMBL9331663

C[C@H](O)c1cccc([C@@H](C)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
CREBBP Q92793 1/20 0.47
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46
ADRB1 P08588 1/20 0.45
MIF P14174 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.43
PTPN5 P54829 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL2812852 1.00 UGT2B7 (0.56) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL9334664 1.00 UGT2B7 (0.56) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL9331659 1.00 UGT2B7 (0.56) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL6055416 0.92 UGT2B7 (0.56) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL8274497 0.92 UGT2B7 (0.56) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL8274488 0.92 UGT2B7 (0.56) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL23809909 0.88 KMT2A (0.47) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL20327099 0.88 KMT2A (0.47) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL29860848 0.87 BRD4 (0.56) UGT2B7MEN1KMT2ABRD4BRD2
SCHEMBL2026260 0.85 ADRB1 (0.64) UGT2B7MEN1KMT2AADRB1MIF

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