SCHEMBL11560650

SCHEMBL11560650

N[C@H](C(=O)O)C(O)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.49
GABBR1 Q9UBS5 1/20 0.49
F2 P00734 1/20 0.41
DAO P14920 1/20 0.41
NR1I2 O75469 1/20 0.41
PTGS1 P23219 1/20 0.41
ADRA1A P35348 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.37
CYP2D6 P10635 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL11560654 1.00 GABBR2 (0.49) GABBR2GABBR1F2DAONR1I2
SCHEMBL16795944 0.81 GABBR2 (0.47) GABBR2GABBR1F2DAOCYP2D6
SCHEMBL5926065 0.81 GABBR2 (0.47) GABBR2GABBR1F2DAOADRA1A
SCHEMBL5212433 0.79 GABBR2 (0.53) GABBR2GABBR1F2DAOTDP1
SCHEMBL27740304 0.78 GABBR2 (0.56) GABBR2GABBR1F2DAOLMNA
Hydrochloric Acid SCHEMBL6655879 0.78 GABBR2 (0.51) GABBR2GABBR1F2DAOTDP1
SCHEMBL23972469 0.77 GABBR2 (0.50) GABBR2GABBR1F2DAOLMNA
SCHEMBL4392686 0.72 GABBR2 (0.49) GABBR2GABBR1F2DAOGSK3B
SCHEMBL11694787 0.72 GABBR2 (0.49) GABBR2GABBR1F2DAOKMT2A
SCHEMBL27484445 0.72 CYP2C9 (0.53) GABBR2GABBR1F2DAOPTGS1

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-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 US disclosed