SCHEMBL8895535

SCHEMBL8895535

O=C(NCCO)[C@H](O)[C@@H](O)C(=O)NCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 1.00
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
MAPT P10636 1/20 1.00
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
ANPEP P15144 2/20 0.39
DNPEP Q9ULA0 2/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A2 O94788 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CNR1 P21554 1/20 0.35
ADAM17 P78536 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL3871043 1.00 USP2 (1.00) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL14602775 1.00 USP2 (1.00) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL12346228 0.90 USP2 (0.81) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL1569115 0.90 USP2 (0.81) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL13567777 0.89 ALDH1A1 (0.78) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16130066 0.85 MEN1 (0.74) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3159437 0.85 USP2 (0.74) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4255667 0.85 USP2 (0.74) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16130114 0.85 MEN1 (0.74) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16130105 0.85 MEN1 (0.74) USP2ALDH1A1MEN1KMT2AMAPT

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-5618842-A TREATING DERMATOLOGIC, OPTHALMIC, MUCOSAL, ARTICULAR, CONNECTIVE TISSUE, NERVOUS SYSTEM, ALLERGIC, INFLAMMATORY PATHOLOGIES LIFEGROUP S.P.A. (IT) 1997-04-08 US disclosed