SCHEMBL8335488

SCHEMBL8335488

CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ P4HB P07237 1/20 0.48
▸ PDIA4 P13667 1/20 0.48
▸ PDIA3 P30101 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ PAX8 Q06710 1/20 0.45
▸ PRKCA P17252 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL8335489 1.00 TSHR (0.52) TSHRLMNAALDH1A1POLBP4HB
SCHEMBL2058841 0.93 CYP3A4 (0.52) TSHRLMNAALDH1A1POLBP4HB
SCHEMBL2058839 0.93 CYP3A4 (0.52) TSHRLMNAALDH1A1POLBP4HB
SCHEMBL1527155 0.91 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL7028056 0.91 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL16327524 0.91 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL230379 0.91 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL13435245 0.91 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL7028051 0.91 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL13461633 0.91 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008333-A Preparation of glucosaminyl muramic acid derivatives ENDOREX CORPORATION (US) 1999-12-28 — — US disclosed
US-5750665-A Preparation of glucosaminyl muramic acid derivatives ENDOREX CORPORATION 1998-05-12 — — US disclosed
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