SCHEMBL21480035

SCHEMBL21480035

CCOC(=O)CCSC(O)N(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TOP2A P11388 1/20 0.38

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
SCHEMBL31290478 0.74 KDM4E (0.47) SMN1; SMN2POLBKDM4EMAPTKMT2A
SCHEMBL279780 0.73 KDM4E (0.49) SMN1; SMN2POLBKDM4EMAPTKMT2A
SCHEMBL12701157 0.73 KDM4E (0.46) SMN1; SMN2POLBKDM4EMAPTKMT2A
SCHEMBL20338996 0.72 SMN1; SMN2 (0.69) SMN1; SMN2POLBKMT2ACYP4F2CYP4A11
SCHEMBL30856559 0.72 PIN1 (0.46) SMN1; SMN2POLBMAPTKMT2AALDH1A1
SCHEMBL2405898 0.72 SMN1; SMN2 (0.65) SMN1; SMN2POLBMAPTKMT2ACYP4F2
SCHEMBL11171940 0.71 PIN1 (0.49) SMN1; SMN2POLBMAPTKMT2AALDH1A1
SCHEMBL8993937 0.71 SMN1; SMN2 (0.63) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL6495234 0.70 PIN1 (0.47) SMN1; SMN2POLBMAPTKMT2AALDH1A1
SCHEMBL6495233 0.70 PIN1 (0.47) SMN1; SMN2POLBMAPTKMT2AALDH1A1

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
WO-2019196262-A1 PREPARATION METHOD FOR HEXAHYDROFURO-FURAN-OL DERIVATIVE, AND INTERMEDIATE OF DERIVATIVE AND PREPARATION METHOD THEREFOR 江苏瑞科医药科技有限公司 2019-10-17 — — WO disclosed
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