SCHEMBL6597161

SCHEMBL6597161

CC1CCCCC1C(=O)Oc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 4/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8198206 0.80 KMT2A (0.50) ATML3MBTL1ALDH1A1MMP1MMP2
SCHEMBL8203929 0.78 POLB (0.49) L3MBTL1ALDH1A1MMP1MMP2MMP9
SCHEMBL8319487 0.76 KMT2A (0.55) L3MBTL1ALDH1A1MMP1MMP2MMP9
SCHEMBL27318954 0.76 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1GAAMMP1MMP2
SCHEMBL21311900 0.72 PPARG (0.47) EPHX1ATML3MBTL1HPGDKMT2A
SCHEMBL3122718 0.71 MMP1 (0.40) MMP1MMP2MMP9MMP12TSHR
SCHEMBL7271802 0.71 MMP1 (0.40) MMP1MMP2MMP9MMP12TSHR
SCHEMBL2407468 0.71 MEN1 (0.43) EPHX1L3MBTL1ALDH1A1KMT2ARAB9A
SCHEMBL27707429 0.69 MMP1 (0.41) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28194803 0.69 HPGD (0.44) L3MBTL1ALDH1A1TSHRHPGDKMT2A

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-0915867-B1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOD CONSEILS RECH APPLIC (FR) 2004-10-06 EP claimed
EP-0915867-B1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOD CONSEILS RECH APPLIC (FR) 2004-10-06 EP disclosed
EP-0915867-A1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 1999-05-19 EP disclosed
WO-1998003498-A1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 1998-01-29 WO disclosed