SCHEMBL8645873

SCHEMBL8645873

COc1ccc([C@@H](C(NC(=O)O)C(=O)c2ccc(O)cc2)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
SLC2A1 P11166 1/20 0.42
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.40
PPARG P37231 1/20 0.40
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
P4HB P07237 1/20 0.39

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
SCHEMBL1673397 0.80 ESR1 (0.44) NPSR1SMN1; SMN2KMT2ACA1CA2
SCHEMBL8647573 0.76 NPSR1 (0.45) NPSR1ALDH1A1CYP1A2SMN1; SMN2MEN1
SCHEMBL8378255 0.75 TRPA1 (0.48) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL27402000 0.75 TRPA1 (0.48) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL8644079 0.74 LMNA (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7512700 0.72 MAPT (0.64) MAPTALDH1A1CYP1A2LMNAHTT
SCHEMBL6473480 0.72 MAPT (0.49) MAPTALDH1A1CYP1A2LMNAHTT
SCHEMBL8646849 0.72 LMNA (0.39) LMNACYP3A4CA1CA2ESR2
SCHEMBL8382550 0.72 CA2 (0.50) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL16165182 0.70 ALDH1A1 (0.54) NPSR1SLC2A1MAPTALDH1A1CYP1A2

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-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed