SCHEMBL9195308

SCHEMBL9195308

CCC(C)c1ccc2c(C(CN)CC(=O)O)occ2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
GABBR2 O75899 4/20 0.40
GABBR1 Q9UBS5 4/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 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
SCHEMBL9198986 0.89 GABBR2 (0.43) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL9203501 0.82 GABBR2 (0.39) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL9196668 0.82 MAPT (0.44) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL9315751 0.79 GABBR2 (0.41) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL9202387 0.79 GABBR2 (0.51) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL9196657 0.79 GABBR2 (0.41) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL9200322 0.79 AKR1C3 (0.41) GAAGABBR2GABBR1CYP2C9TSHR
SCHEMBL9195312 0.76 GAA (0.43) GAAGABBR2GABBR1LMNACYP2C9
SCHEMBL9594090 0.76 PIM1 (0.39) GABBR2GABBR1LMNACYP2C9TSHR
SCHEMBL9726310 0.70 MEN1 (0.32) GAACYP2C9CYP2D6CYP2C19MEN1

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