SCHEMBL14478642

SCHEMBL14478642

CC(=O)OCC1O[C@@H](Oc2ccccc2F)C(OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

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
▸ LMNA P02545 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL14353389 1.00 TSHR (0.58) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL14353387 1.00 TSHR (0.58) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL14477711 0.89 TSHR (0.47) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL8946122 0.87 TSHR (0.59) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL20633976 0.87 P4HB (0.61) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL7744449 0.87 TSHR (0.59) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL22822236 0.86 TSHR (0.56) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL22822234 0.86 TSHR (0.56) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL22822338 0.86 TSHR (0.56) TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL23457384 0.86 TSHR (0.58) 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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