SCHEMBL8977510

SCHEMBL8977510

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.61
▸ LMNA P02545 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ CA2 P00918 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 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
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PAX8 Q06710 1/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ P4HB P07237 1/20 0.48

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
SCHEMBL12450812 0.84 PTPN1 (0.56) TSHRCYP2D6THRBHSD17B10CA2
SCHEMBL13875363 0.84 TSHR (0.49) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL2342815 0.84 CYP2D6 (0.49) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL13875372 0.84 CYP2D6 (0.49) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL23742930 0.83 TSHR (0.64) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL13617226 0.83 TSHR (0.64) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL15514610 0.83 TSHR (0.64) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL8722654 0.83 TSHR (0.64) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL10359936 0.83 TSHR (0.64) TSHRLMNACYP2D6THRBHSD17B10
SCHEMBL8722653 0.83 TSHR (0.64) TSHRLMNACYP2D6THRBHSD17B10

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-5481043-A ANTIINFLAMMATORY AGENTS FOR ALLERGIC LUNG DISEASES PLANTAMED ARZNEIMITTEL GMBH (DE) 1996-01-02 — — US disclosed
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