SCHEMBL3379637

SCHEMBL3379637

C[C@@H](O)[C@@H](C(=O)O)N(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SLC7A5 Q01650 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
SCHEMBL3379632 1.00 TP53 (0.43) TP53TSHRLMNASLC7A5
SCHEMBL3379318 0.81 TP53 (0.38) TP53LMNASLC7A5
SCHEMBL3379312 0.81 TP53 (0.38) TP53LMNASLC7A5
SCHEMBL3382205 0.80 TP53 (0.39) TP53
SCHEMBL3382208 0.80 TP53 (0.39) TP53
SCHEMBL23152027 0.76 TP53 (0.45) TP53TSHRSLC7A5
SCHEMBL7424097 0.76 TP53 (0.45) TP53TSHRSLC7A5
SCHEMBL196164 0.76 TP53 (0.45) TP53TSHRSLC7A5
SCHEMBL196163 0.76 TP53 (0.45) TP53TSHRSLC7A5
SCHEMBL4728747 0.74 TP53 (0.43) TP53TSHRSLC7A5

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-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed