SCHEMBL6983533

SCHEMBL6983533

CCc1cccc(C(=O)C(CC(=O)O)C(=O)O)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.39
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
HTT P42858 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CPA1 P15085 2/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
POLB P06746 1/20 0.34
LTA4H P09960 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33
MMP15 P51511 1/20 0.33

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
SCHEMBL3494517 0.75 CLCN2 (0.40) CLCN2HTTPOLBKMT2AALDH1A1
SCHEMBL578127 0.75 CLCN2 (0.56) CLCN2GABRA1GABRB2HTTALOX15
SCHEMBL5916377 0.74 KMT2A (0.50) CLCN2GABRA1GABRB2HTTALOX15
Ammonia Solution, Strong SCHEMBL29557133 0.73 CLCN2 (0.54) CLCN2GABRA1GABRB2HTTALOX15
SCHEMBL10915002 0.73 GABRA1 (0.50) CLCN2GABRA1GABRB2HTTTSHR
SCHEMBL7088573 0.73 CLCN2 (0.46) CLCN2GABRA1GABRB2HTTALOX15
SCHEMBL28554650 0.72 GABRA1 (0.45) CLCN2GABRA1GABRB2HTTALOX15
SCHEMBL16959754 0.71 GABRA1 (0.48) CLCN2GABRA1GABRB2HTTTSHR
SCHEMBL10499032 0.71 GABRA1 (0.48) CLCN2GABRA1GABRB2HTTTSHR
SCHEMBL621762 0.71 ALDH1A1 (0.43) CLCN2GABRA1GABRB2HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155014-B1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA AB (SE) 2003-06-04 EP disclosed
US-6329383-B1 THESE COMPOUNDS ARE USEFUL AS A HUMAN GROWTH HORMONE (HGH) MIMETIC, WHICH TRIGGER GH AGONIST EFFECTS IN ANIMALS AND ESPECIALLY AS AN ORALLY AVAILABLE HUMAN GROWTH HORMONE (HGH). PHARMACIA AB (SE) 2001-12-11 US disclosed
EP-1155014-A1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia AB (SE) 2001-11-21 EP disclosed
WO-2000043387-A1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA AB (SE) 2000-07-27 WO disclosed