SCHEMBL17165637

SCHEMBL17165637

CC[C@H](C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 7/20 0.47
▸ P2RY14 Q15391 2/20 0.47
▸ NT5E P21589 1/20 0.47
▸ P2RY2 P41231 4/20 0.47
▸ P2RY4 P51582 3/20 0.47
▸ IARS1 P41252 1/20 0.46
▸ ST6GAL1 P15907 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
SCHEMBL17165639 1.00 P2RY6 (0.47) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL22387094 0.92 P2RY6 (0.51) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL22387174 0.92 P2RY6 (0.51) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL23762553 0.92 P2RY6 (0.51) P2RY6P2RY14NT5EP2RY2P2RY4
Isoleucine SCHEMBL17165641 0.86 LMNA (0.53) P2RY6P2RY14NT5EP2RY2P2RY4
Isoleucine SCHEMBL17165634 0.86 LMNA (0.53) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL9601020 0.85 P2RY6 (0.55) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL22387092 0.84 P2RY6 (0.52) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL21345106 0.84 P2RY6 (0.52) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL23762552 0.84 P2RY6 (0.52) P2RY6P2RY14NT5EP2RY2P2RY4

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
EP-3151665-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK Laboratory Corporation of America Holdings (US) 2017-04-12 — — EP disclosed
WO-2015157601-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK SYNAPDX CORPORATION (US) 2015-10-15 — — WO disclosed
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