SCHEMBL8622203

SCHEMBL8622203

C=CCC(Oc1ccccc1)c1ccccc1CCl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8591085 0.82 ALDH1A1 (0.32) SLC6A4SMN1; SMN2
SCHEMBL8943022 0.79 TSHR (0.37) SLC6A4CYP2C19SMN1; SMN2
SCHEMBL27816063 0.76 SLC6A4 (0.50) SLC6A4CYP2C19SMN1; SMN2
SCHEMBL27722724 0.71 CYP2C19 (0.37) SLC6A4CYP2C19PPARGPPARASMN1; SMN2
SCHEMBL8089903 0.71 CYP2C19 (0.39) SLC6A4CYP2C19PPARGPPARASMN1; SMN2
SCHEMBL1778182 0.70 CYP2C19 (0.41) SLC6A4CYP2C19SMN1; SMN2ATML3MBTL1
SCHEMBL18228722 0.70 SLC6A4 (0.56) SLC6A4PPARGPPARAATML3MBTL1
SCHEMBL8593657 0.69 CYP2C19 (0.32) CYP2C19
SCHEMBL8593655 0.69 CYP2C19 (0.32) CYP2C19
SCHEMBL4711438 0.69 CYP2C19 (0.40) SLC6A4CYP2C19PPARGPPARASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed