SCHEMBL9420118

SCHEMBL9420118

CCCSC(=O)N(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PHGDH O43175 3/20 0.36
MGLL Q99685 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
HPGD P15428 3/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL24470878 0.90 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1LMNA
SCHEMBL11180981 0.89 TSHR (0.59) ALDH1A1TSHRMAPK1TDP1LMNA
Pebulate SCHEMBL8538189 0.85 CA12 (0.52) ALDH1A1TSHRMAPK1TDP1LMNA
Pebulate SCHEMBL63581 0.85 CA12 (0.52) ALDH1A1TSHRMAPK1TDP1LMNA
Vernolate SCHEMBL8538253 0.83 TSHR (0.71) ALDH1A1TSHRMAPK1TDP1NOS3
Vernolate SCHEMBL55115 0.83 TSHR (0.71) ALDH1A1TSHRMAPK1TDP1NOS3
SCHEMBL6687731 0.82 CES2 (0.44) ALDH1A1TSHRMAPK1TDP1MGLL
SCHEMBL38665236 0.82 CES2 (0.44) ALDH1A1TSHRMAPK1TDP1MGLL
SCHEMBL9679988 0.81 TSHR (0.40) ALDH1A1TSHRMAPK1TDP1LMNA
SCHEMBL21221413 0.79 PHGDH (0.50) ALDH1A1TSHRMAPK1LMNAPHGDH

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
EP-0397012-B1 Thiolcarbamate granule formulation HODOGAYA CHEMICAL CO LTD (JP) 1994-07-20 EP claimed