SCHEMBL19636624

SCHEMBL19636624

CC(C)(CC(O)CO)OCC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 2/20 0.34
AR P10275 1/20 0.34
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 2/20 0.32
AGTR1 P30556 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL24844068 0.90 USP2 (0.40) USP2LMNAALDH1A1MAPK1AR
SCHEMBL17662653 0.89 USP2 (0.33) USP2
SCHEMBL6353254 0.87 MAPK1 (0.41) USP2LMNAALDH1A1MAPK1AR
SCHEMBL20887117 0.85 MEN1 (0.33) USP2MAPK1MEN1KMT2ATSHR
SCHEMBL24901915 0.82 MAPK1 (0.33) MAPK1
SCHEMBL2467812 0.82 USP2 (0.39) USP2LMNAALDH1A1MAPK1AR
SCHEMBL24807506 0.81 MAPK1 (0.32) MAPK1
SCHEMBL11792489 0.80 USP2 (0.38) USP2LMNAALDH1A1MAPK1AR
SCHEMBL11423878 0.80 USP2 (0.34) USP2LMNAALDH1A1MAPK1AR
SCHEMBL10420138 0.80 USP2 (0.34) USP2LMNAALDH1A1MAPK1AR

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
WO-2017200737-A1 POLYETHERAMINE COMPOSITIONS FOR LAUNDRY DETERGENTS STEPAN COMPANY (US) 2017-11-23 WO disclosed