SCHEMBL30357745

SCHEMBL30357745

CCCNc1ccc(-c2[nH]c(-c3ccc(/C=C/COCC)cc3)nc2-c2ccc(NC(C)C)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.87
▸ PTPN1 P18031 1/20 0.36
▸ MAPK13 O15264 6/20 0.35
▸ MAPK12 P53778 6/20 0.35
▸ MAPK11 Q15759 6/20 0.35
▸ MAPK14 Q16539 6/20 0.35
▸ GCGR P47871 6/20 0.35
▸ SELP P16109 4/20 0.35
▸ SELE P16581 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX5 P09917 5/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ FRK P42685 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PTK6 Q13882 1/20 0.33

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
SCHEMBL3826448 0.93 ABCB1 (1.00) ABCB1PTPN1MAPK13MAPK12MAPK11
SCHEMBL719050 0.93 ABCB1 (1.00) ABCB1PTPN1MAPK13MAPK12MAPK11
SCHEMBL719051 0.93 ABCB1 (0.74) ABCB1PTPN1MAPK13MAPK12MAPK11
SCHEMBL13679717 0.93 ABCB1 (0.91) ABCB1PTPN1MAPK13MAPK12MAPK11
SCHEMBL3829640 0.93 ABCB1 (0.91) ABCB1PTPN1MAPK13MAPK12MAPK11
SCHEMBL3824437 0.91 ABCB1 (0.91) ABCB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13679665 0.91 ABCB1 (0.91) ABCB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13679699 0.90 ABCB1 (0.92) ABCB1PTPN1MAPK13MAPK12MAPK11
SCHEMBL3830858 0.90 ABCB1 (0.92) ABCB1PTPN1MAPK13MAPK12MAPK11
SCHEMBL13780563 0.89 ABCB1 (0.91) ABCB1PTPN1MAPK13MAPK12MAPK11

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-20230111968-A1 Secreted P-glycoprotein is a Non-Invasive Biomarker of Chronic Rhinosinusitis MASSACHUSETTS EYE AND EAR INFIRMARY 2023-04-13 — — US disclosed
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