SCHEMBL8023003

SCHEMBL8023003

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ TYMP P19971 5/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ LGALS3 P17931 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL6329773 0.92 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL6329768 0.92 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL2338508 0.92 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL8021661 0.89 LMNA (0.52) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL8021664 0.89 LMNA (0.52) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL2503960 0.82 LMNA (0.58) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL2503954 0.82 LMNA (0.58) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL17435236 0.80 HK1 (0.47) TYMP
SCHEMBL20608732 0.80 HK1 (0.47) TYMP
SCHEMBL14278404 0.80 TSHR (0.52) LMNAKMT2AALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711766-B1 7-FLUORO-2, 3-DIDEHYDROSIALIC ACID AND INTERMEDIATE FOR SYNTHESIS THEREOF DAIKIN IND LTD (JP) 2000-02-16 — — EP disclosed
US-5627290-A 2,3-didehydrosialic acid substituted with fluorine at 7-position and synthetic intermediate thereof DAIKIN INDUSTRIES, LTD. (JP) 1997-05-06 — — US disclosed
EP-0711766-A1 7-FLUORO-2, 3-DIDEHYDROSIALIC ACID AND INTERMEDIATE FOR SYNTHESIS THEREOF DAIKIN INDUSTRIES, LIMITED (JP) 1996-05-15 — — EP disclosed
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