SCHEMBL9198993

SCHEMBL9198993

CC(C)c1ccc2oc(C(CN)CC(=O)O)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.44
GABBR1 Q9UBS5 4/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.42
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9195312 0.89 GAA (0.43) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL9696447 0.86 MAPT (0.40) LMNAGAARAB9AALOX5
SCHEMBL9196674 0.84 MAOB (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL9315754 0.82 PIM1 (0.55) GABBR2GABBR1LMNANPC1RAB9A
SCHEMBL9203506 0.82 LMNA (0.43) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL9196666 0.81 GABBR2 (0.43) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL9202393 0.81 GABBR2 (0.54) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL9200327 0.79 ALDH1A1 (0.45) BLMCYP1A2MEN1THRBKMT2A
SCHEMBL9594099 0.78 PIM1 (0.57) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL9726314 0.77 TAS1R3 (0.37) GAAFFAR4KDM4ENPC1ABCC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463969-B1 New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them ADIR (FR) 1995-02-08 EP claimed
US-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US claimed
US-5278166-A 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5214063-A 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed