SCHEMBL30700012

SCHEMBL30700012

CCCCCCCCCCCCCCCCCCN(C)C(=S)S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
DNM1 Q05193 3/20 0.48
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
EPHX2 P34913 4/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ABCB11 O95342 1/20 0.37
CYP2E1 P05181 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
GSDMD P57764 1/20 0.37
GBA1 P04062 1/20 0.36
TSHR P16473 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
SCHEMBL1285949 1.00 MGLL (0.48) MGLLCA12CA1CA2CA9
SCHEMBL23388550 1.00 MGLL (0.48) MGLLCA12CA1CA2CA9
SCHEMBL27389399 0.98 MGLL (0.47) MGLLCA12CA1CA2CA9
SCHEMBL1285962 0.98 MGLL (0.45) MGLLCA12CA1CA2CA9
SCHEMBL27362722 0.95 MGLL (0.44) MGLLCA12CA1CA2CA9
SCHEMBL28592560 0.92 MGLL (0.43) MGLLCA12CA1CA2CA9
SCHEMBL1286291 0.91
SCHEMBL28815406 0.88 ALDH1A1 (0.46) MGLLCA12CA1CA2CA9
SCHEMBL27992382 0.88 ALDH1A1 (0.46) MGLLCA12CA1CA2CA9
SCHEMBL27361835 0.88 ALDH1A1 (0.46) MGLLCA12CA1CA2CA9

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
CN-112912191-B Composition comprising silver nanoplatelets 巴斯夫欧洲公司 2023-11-21 CN disclosed