SCHEMBL21753464

SCHEMBL21753464

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](S)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.40
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.39
GALR3 O60755 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA4 P22748 6/20 0.38
CA5A P35218 6/20 0.38
CA7 P43166 6/20 0.38
CA5B Q9Y2D0 6/20 0.38
MMP12 P39900 1/20 0.37
CA6 P23280 4/20 0.37
CA9 Q16790 4/20 0.37

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
SCHEMBL2454848 0.86 TSHR (0.52) TSHRLMNAKMT2AALDH1A1CA12
SCHEMBL2454844 0.86 TSHR (0.52) TSHRLMNAKMT2AALDH1A1CA12
SCHEMBL14278404 0.86 TSHR (0.52) TSHRLMNAKMT2AALDH1A1CA12
SCHEMBL7025660 0.85 TSHR (0.51) TSHRLMNAKMT2APTPN1ALDH1A1
SCHEMBL6303221 0.85 TSHR (0.71) TSHRLMNAKMT2APTPN1GALR3
SCHEMBL9393500 0.84 TSHR (0.50) TSHRLMNAKMT2AALDH1A1MMP12
SCHEMBL18343982 0.84 TSHR (0.50) TSHRLMNAKMT2AALDH1A1MMP12
SCHEMBL14740699 0.83 TSHR (0.49) TSHRLMNAKMT2APTPN1ALDH1A1
SCHEMBL6297105 0.82 TSHR (0.48) TSHRLMNAKMT2APTPN1ALDH1A1
SCHEMBL20095195 0.81 TSHR (0.59) TSHRLMNAKMT2APTPN1ALDH1A1

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-2020038377-A1 NUCLEIC ACID, PHARMACEUTICAL COMPOSITION AND CONJUGATE CONTAINING NUCLEIC ACID, AND USE THEREOF 苏州瑞博生物技术有限公司 2020-02-27 WO disclosed