SCHEMBL8009954

SCHEMBL8009954

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ TYMP P19971 2/20 0.34
▸ CA2 P00918 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ PAX8 Q06710 1/20 0.32

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
SCHEMBL8021664 0.82 LMNA (0.52) LMNATSHRKMT2ATYMPALDH1A1
SCHEMBL8021661 0.82 LMNA (0.52) LMNATSHRKMT2ATYMPALDH1A1
SCHEMBL2454848 0.79 TSHR (0.52) LMNATSHRKMT2ACA2CA12
SCHEMBL2454844 0.79 TSHR (0.52) LMNATSHRKMT2ACA2CA12
SCHEMBL14278404 0.79 TSHR (0.52) LMNATSHRKMT2ACA2CA12
SCHEMBL22830171 0.76 KIF11 (0.35) LMNATSHRKMT2ATYMPCA2
SCHEMBL9393500 0.75 TSHR (0.50) LMNATSHRKMT2AALDH1A1CYP2D6
SCHEMBL18343982 0.75 TSHR (0.50) LMNATSHRKMT2AALDH1A1CYP2D6
SCHEMBL20095195 0.74 TSHR (0.59) LMNATSHRKMT2ACA2CA12
SCHEMBL23778463 0.74 TSHR (0.44) LMNATSHRKMT2ATYMPALDH1A1

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 6 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 claimed
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 claimed
EP-0711766-A1 7-FLUORO-2, 3-DIDEHYDROSIALIC ACID AND INTERMEDIATE FOR SYNTHESIS THEREOF DAIKIN INDUSTRIES, LIMITED (JP) 1996-05-15 — — EP claimed
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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