SCHEMBL3820153

SCHEMBL3820153

CC(CCl)Cc1ccccc1[O]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL660274 0.79 GABRA1 (0.52) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL8791083 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11278775 0.78 TAAR1 (0.42) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
SCHEMBL10867925 0.76 TAAR1 (0.42) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
SCHEMBL3812568 0.76
SCHEMBL3657320 0.76 MMP12 (0.33) TP53
SCHEMBL3020825 0.76 GABRA1 (0.37) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL15543860 0.74 FOLH1 (0.48) LMNAHTTALDH1A1TP53SMN1; SMN2
SCHEMBL4450092 0.73 IDO1 (0.47) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL10398717 0.73 ALDH1A1 (0.36) GABRA1GABRB2SLC6A2SLC6A4SLC6A3

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-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed