SCHEMBL14478537

SCHEMBL14478537

CC(=O)OCC1O[C@@H](Oc2ccccc2Br)C(OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ CYP2D6 P10635 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ P4HB P07237 1/20 0.52
▸ PDIA4 P13667 1/20 0.52
▸ PDIA3 P30101 1/20 0.52
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA4 P22748 2/20 0.51
▸ CA5A P35218 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA5B Q9Y2D0 2/20 0.51
▸ LMNA P02545 1/20 0.51

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
SCHEMBL23479749 1.00 TSHR (0.58) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL26364024 1.00 TSHR (0.58) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL14353402 1.00 TSHR (0.58) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL23457384 1.00 TSHR (0.58) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL14353401 1.00 TSHR (0.58) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL14477715 0.89 TSHR (0.47) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL30578065 0.87 LMNA (0.64) TSHRCA12CA1CA2CA4
SCHEMBL23480052 0.87 LMNA (0.64) TSHRCA12CA1CA2CA4
SCHEMBL20633976 0.87 P4HB (0.61) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL7744449 0.87 TSHR (0.59) TSHRCYP2D6THRBHSD17B10P4HB

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
US-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 — — US disclosed
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