Molinate

Molinate

SCHEMBL11745944

CCSC(=O)N(CC)CC.CCSC(=O)N1CCCCCC1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1A P08908 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 5/20 0.32
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
OPRD1 P41143 1/20 0.31
MGLL Q99685 2/20 0.31
PHGDH O43175 1/20 0.31
ALDH2 P05091 1/20 0.31
FBP1 P09467 1/20 0.31

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 SCHEMBL1517528 0.86 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1HTT
Molinate SCHEMBL63895 0.86 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1HTT
Butylate SCHEMBL11147687 0.84 TSHR (0.39) TSHRMAPK1L3MBTL1MEN1KMT2A
Molinate SCHEMBL21332448 0.84 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ATDP1HTT
SCHEMBL25743346 0.84 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ATDP1HTT
Molinate SCHEMBL9299173 0.82 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATDP1HTT
Pebulate SCHEMBL8467133 0.82 TSHR (0.37) TSHRMAPK1L3MBTL1MEN1KMT2A
Vernolate SCHEMBL9331760 0.80 TSHR (0.53) TSHRMAPK1L3MBTL1MEN1KMT2A
SCHEMBL11750538 0.80
SCHEMBL134304 0.78 TSHR (0.65) TSHRMAPK1HTR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4033756-A PROTECTIVE COATINGS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1977-07-05 US disclosed