SCHEMBL12112837

SCHEMBL12112837

COC(=O)[C@@]1(C)CC(O)[C@@H](NC(C)=O)C(C[C@H](O)CO)O1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAG P20916 5/20 0.33
▸ ASGR1 P07306 1/20 0.32
▸ SELL P14151 1/20 0.31
▸ SELP P16109 1/20 0.31
▸ CD69 Q07108 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL24309217 0.88 NANP (0.40) NANPALDH1A1THRBMAGASGR1
SCHEMBL16174059 0.88 NANP (0.40) NANPALDH1A1THRBMAGASGR1
SCHEMBL25576480 0.86 NANP (0.41) NANPALDH1A1THRBMAGASGR1
SCHEMBL24246810 0.86 NANP (0.41) NANPALDH1A1THRBMAGASGR1
SCHEMBL27391404 0.86 NANP (0.41) NANPALDH1A1THRBMAGASGR1
SCHEMBL18410846 0.81 NANP (0.54) NANPMAGSELLSELP
SCHEMBL17715100 0.79 NANP (0.42) NANPMAG
SCHEMBL17117576 0.79 NANP (0.52) NANPALDH1A1THRBMAGASGR1
SCHEMBL16135482 0.79 NANP (0.52) NANPALDH1A1THRBMAGASGR1
SCHEMBL15746561 0.79 NANP (0.52) NANPALDH1A1THRBMAGASGR1

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-8053246-B2 Method of esterifying bio-related molecule for mass spectrometry and method of mass spectrometry of obtained esterified derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-08 — — US disclosed
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