SCHEMBL11225818

SCHEMBL11225818

COC(=O)C(C)CNCC(C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ANPEP P15144 1/20 0.34
CA14 Q9ULX7 3/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 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
SCHEMBL23102141 0.89 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL21359152 0.89 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL11227197 0.84 TSHR (0.33) ANPEPCA12CA9CA1CA2
SCHEMBL11233490 0.84 GAA (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11221215 0.81 LMNA (0.33) SMN1; SMN2ANPEPKMT2A
SCHEMBL29141621 0.81 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL10836597 0.79 ANPEP (0.42) SMN1; SMN2ANPEPCA14CA12CA7
SCHEMBL7427794 0.78 KDM4E (0.40) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL11228618 0.78 ALDH1A1 (0.41) SMN1; SMN2MAPT
SCHEMBL11387958 0.76 CA14 (0.42) SMN1; SMN2ANPEPCA14CA12CA7

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
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed