SCHEMBL31023255

SCHEMBL31023255

COC(=O)c1ccccc1[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1OCCl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.39
▸ P2RY12 Q9H244 7/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ P2RY2 P41231 1/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37

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
SCHEMBL31023267 0.83 POLB (0.42) PRMT6P2RY12ADORA3ADORA1P2RY2
SCHEMBL24823137 0.80 P2RY12 (0.42) PRMT6P2RY12ADORA1P2RY2P2RY1
SCHEMBL31629565 0.78 POLB (0.49) ADORA1
SCHEMBL15143709 0.76 POLB (0.61) ADORA1
SCHEMBL11683614 0.76 POLB (0.61) ADORA1
SCHEMBL19519648 0.76 POLB (0.61) ADORA1
SCHEMBL12362206 0.76 POLB (0.61) ADORA1
SCHEMBL20534948 0.75 POLB (0.51) PRMT6ADORA1
SCHEMBL11049246 0.75 POLB (0.51) PRMT6ADORA1
SCHEMBL9850183 0.75 POLB (0.53) PRMT6P2RY12P2RY2P2RY1P2RY6

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
CN-118388557-A Preparation method of propylene oxy product 深圳碳密科技有限公司 2024-07-26 — — CN disclosed
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