Molinate

Molinate

SCHEMBL9299173

C=O.CCSC(=O)N1CCCCCC1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MGLL Q99685 2/20 0.37
PHGDH O43175 1/20 0.37
ALDH2 P05091 1/20 0.37
FBP1 P09467 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
Molinate SCHEMBL63895 0.96 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1HTT
Molinate SCHEMBL1517528 0.96 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1HTT
Molinate SCHEMBL21332448 0.94 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ATDP1HTT
SCHEMBL25743346 0.94 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ATDP1HTT
SCHEMBL11750538 0.89
Molinate SCHEMBL17110532 0.86 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1HTT
Molinate SCHEMBL9464047 0.86 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1HTT
Molinate SCHEMBL9725661 0.86 F2 (0.39) L3MBTL1MEN1KMT2ATDP1HTT
Molinate SCHEMBL11503298 0.85 HTT (0.47) L3MBTL1MEN1KMT2ATDP1HTT
SCHEMBL12807826 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623052-A1 PROCESS FOR FORMALDEHYDE CONTENT REDUCTION IN MICROCAPSULE FORMULATIONS. ZENECA LTD (GB) 1994-11-09 EP disclosed
WO-1993014865-A1 PROCESS FOR FORMALDEHYDE CONTENT REDUCTION IN MICROCAPSULE FORMULATIONS ZENECA LIMITED (GB) 1993-08-05 WO disclosed