SCHEMBL5277797

SCHEMBL5277797

CNC(C)Cc1ccc(OC)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.71
ALOX12 P18054 3/20 0.71
TUBB1 Q9H4B7 4/20 0.56
TUBB4A P04350 3/20 0.56
TUBB P07437 3/20 0.56
TUBA3C P0DPH7 3/20 0.56
TUBA1B P68363 3/20 0.56
TUBA4A P68366 3/20 0.56
TUBB4B P68371 3/20 0.56
TUBB3 Q13509 3/20 0.56
TUBB2A Q13885 3/20 0.56
TUBB8 Q3ZCM7 3/20 0.56
TUBA3E Q6PEY2 3/20 0.56
TUBA1A Q71U36 3/20 0.56
TUBA1C Q9BQE3 3/20 0.56
TUBB6 Q9BUF5 3/20 0.56
TUBB2B Q9BVA1 3/20 0.56
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL5277808 1.00 ALOX15 (0.71) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL3900634 0.87 FOS (0.71) ALOX15ALOX12CYP3A4TSHRNFKB1
SCHEMBL3900627 0.87 FOS (0.71) ALOX15ALOX12CYP3A4TSHRNFKB1
SCHEMBL1026086 0.85 CA2 (0.60) ALOX15ALOX12MEN1KMT2A
SCHEMBL1023836 0.85 CA2 (0.60) ALOX15ALOX12MEN1KMT2A
SCHEMBL30559576 0.85 CA2 (0.60) ALOX15ALOX12MEN1KMT2A
SCHEMBL8828295 0.85 CA2 (0.60) ALOX15ALOX12MEN1KMT2A
Hydrochloric Acid SCHEMBL23524379 0.83 CA2 (0.58) ALOX15ALOX12MEN1KMT2A
SCHEMBL20821072 0.83 ALOX15 (0.80) ALOX15ALOX12TUBB1TUBB4ATUBB
Dimethylnordihydroguarierate Acid SCHEMBL22039401 0.83 ALOX15 (1.00) ALOX15ALOX12TUBB1TUBB4ATUBB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104520712-A Sample collection devices comprising controls CONCATENO UK LTD 2015-04-15 CN disclosed
WO-2014033555-A2 SAMPLE COLLECTION DEVICES COMPRISING CONTROLS CONCATENO UK Ltd. (GB) 2014-03-06 WO disclosed
EP-1167976-B1 Immunoassay for the detection of amphetamines and derivatives thereof ROCHE DIAGNOSTICS GMBH (DE) 2007-12-05 EP disclosed
US-6534325-B1 Determining if a urine sample contains drugs by combining sample with antibody specific for the drug and having cross-reactivity with it; kit ROCHE DIAGNOSTICS CORPORATION 2003-03-18 US disclosed
EP-1167976-A2 Immunoassay for the detection of amphetamines and derivatives thereof BOEHRINGER MANNHEIM GMBH (DE) 2002-01-02 EP disclosed
WO-1994000432-A1 ANORECTIC EPINEPHRINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-01-06 WO disclosed