SCHEMBL28996325

SCHEMBL28996325

CCCCCCCCCCCCCCCCOC(=O)CCc1ccc(OC(NC(C)C)C(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY10 O00398 4/20 0.48
▸ GPR174 Q9BXC1 3/20 0.46
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ DGKA P23743 1/20 0.40

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
SCHEMBL28996319 0.77 ADRB2 (0.71) P2RY10GPR174
SCHEMBL28996459 0.76 SMN1; SMN2 (0.38) —
SCHEMBL7279461 0.75 CYP4F2 (0.59) P2RY10GPR174S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL10878734 0.74 SMN1; SMN2 (0.54) S1PR1S1PR3
SCHEMBL2728741 0.74 ESR1 (0.57) P2RY10DGKA
SCHEMBL10892112 0.74 ESR1 (0.57) P2RY10DGKA
SCHEMBL28996322 0.73 P2RY10 (0.54) P2RY10GPR174S1PR4S1PR1S1PR3
SCHEMBL6539026 0.73 LMNA (0.57) P2RY10S1PR4S1PR1S1PR3PLA2G4B
SCHEMBL10334162 0.73 LMNA (0.57) P2RY10S1PR4S1PR1S1PR3PLA2G4B
SCHEMBL17349905 0.73 LMNA (0.57) P2RY10S1PR4S1PR1S1PR3PLA2G4B

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
CN-116036305-B Nanometer medicine and its prepn and application 广州国家实验室 2023-09-15 — — CN disclosed
CN-116036305-A Nanometer medicine and its prepn and application 广州国家实验室 2023-05-02 — — CN disclosed
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