SCHEMBL5322702

SCHEMBL5322702

ClC=C(Cl)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 1/20 0.35
HSD11B1 P28845 7/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RECQL P46063 1/20 0.32
NOS2 P35228 1/20 0.32
HSD11B2 P80365 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
CASP1 P29466 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
SCHEMBL9639023 1.00 CES2 (0.39) CES2CES1TSHRALDH1A1MGLL
SCHEMBL8725024 1.00 CES2 (0.39) CES2CES1TSHRALDH1A1MGLL
SCHEMBL7635610 0.85
SCHEMBL9185124 0.74 CES2 (0.36) CES2CES1TSHRALDH1A1MGLL
Propionic Acid SCHEMBL11221449 0.74 FFAR3 (0.43) ALDH1A1HSD11B1
Trichloroethylene SCHEMBL8544551 0.72 TSHR (0.44) CES2CES1TSHRALDH1A1HSD11B1
Acetic Acid SCHEMBL11231572 0.72 FFAR3 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9010935 0.71 CES2 (0.58) CES2CES1TSHRALDH1A1HSD11B1
SCHEMBL16317826 0.71 CES2 (0.58) CES2CES1TSHRALDH1A1HSD11B1
SCHEMBL1420 0.71

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
WO-2007114797-A1 POROUS TABLETS FOR SUBSEQUENT FILLING WITH ACTIVE PHARMACEUTICAL INGREDIENT IGC CENTER D.O.O. (SI) 2007-10-11 WO claimed
WO-2007114797-A1 POROUS TABLETS FOR SUBSEQUENT FILLING WITH ACTIVE PHARMACEUTICAL INGREDIENT IGC CENTER D.O.O. (SI) 2007-10-11 WO disclosed
WO-2007114797-A1 POROUS TABLETS FOR SUBSEQUENT FILLING WITH ACTIVE PHARMACEUTICAL INGREDIENT IGC CENTER D.O.O. (SI) 2007-10-11 WO disclosed
US-5119221-A Containing polymer adjustment layer MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-06-02 US disclosed
EP-0351718-A1 Liquid crystal display device comprising improved alignment layers for liquid crystal MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1990-01-24 EP disclosed