SCHEMBL2123890

SCHEMBL2123890

CC(NI)C(O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.54
▸ ADRA1A P35348 5/20 0.54
▸ SLC6A2 P23975 4/20 0.54
▸ OPRM1 P35372 4/20 0.54
▸ CYP2D6 P10635 4/20 0.54
▸ ADRB2 P07550 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ SLC6A4 P31645 3/20 0.54
▸ SLC6A3 Q01959 3/20 0.54
▸ ADRB1 P08588 2/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ GALR3 O60755 1/20 0.54
▸ ADRB3 P13945 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ ESR1 P03372 1/20 0.48
▸ PDCD1 Q15116 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ CD274 Q9NZQ7 1/20 0.48
▸ CYP2C19 P33261 3/20 0.47

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
Oxilofrine SCHEMBL4256893 0.81 ADRA1A (0.67) HIF1AADRA1ASLC6A2OPRM1CYP2D6
Oxilofrine SCHEMBL147458 0.81 ADRA1A (0.67) HIF1AADRA1ASLC6A2OPRM1CYP2D6
Oxilofrine SCHEMBL14153976 0.81 ADRA1A (0.67) HIF1AADRA1ASLC6A2OPRM1CYP2D6
Oxilofrine SCHEMBL14465574 0.81 ADRA1A (0.67) HIF1AADRA1ASLC6A2OPRM1CYP2D6
Oxilofrine SCHEMBL5173040 0.81 ADRA1A (0.67) HIF1AADRA1ASLC6A2OPRM1CYP2D6
SCHEMBL20690347 0.81 HIF1A (0.56) HIF1AADRA1ASLC6A2OPRM1CYP2D6
SCHEMBL4713568 0.79 ADRA1A (0.54) HIF1AADRA1ASLC6A2OPRM1CYP2D6
SCHEMBL16144662 0.79 HIF1A (0.55) HIF1AADRA1ASLC6A2OPRM1CYP2D6
Oxilofrine SCHEMBL5174274 0.79 KMT2A (0.68) HIF1AADRA1ASLC6A2OPRM1CYP2D6
Oxilofrine SCHEMBL29354826 0.79 KMT2A (0.68) HIF1AADRA1ASLC6A2OPRM1CYP2D6

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-2443127-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS Board of Regents, The University of Texas System (US) 2012-04-25 — — EP disclosed
WO-2010148191-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-23 — — WO disclosed
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