2-(Aminomethyl)Phenol

2-(Aminomethyl)Phenol

SCHEMBL8035202

NC[C@H](N)C(=O)O.NCc1ccccc1O.O=Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
ADAMTS5 Q9UNA0 6/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
FAAH O00519 1/20 0.36
SLC1A5 Q15758 3/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPOR P19235 1/20 0.35

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
2-(Aminomethyl)Phenol SCHEMBL8035206 1.00 KMO (0.44) KMOADAMTS5CYP3A4CYP2D6CYP3A5
2-(Aminomethyl)Phenol SCHEMBL8041391 0.90 KMO (0.47) KMOADAMTS5CYP3A4CYP2D6CYP3A5
Lysine SCHEMBL7799063 0.90 KMO (0.40) KMOADAMTS5CYP3A4CYP2D6CYP3A5
Lysine SCHEMBL7799061 0.90 KMO (0.40) KMOADAMTS5CYP3A4CYP2D6CYP3A5
2-(Aminomethyl)Phenol SCHEMBL8025681 0.87 SLC1A5 (0.45) SLC1A5NPC1RAB9AKMT2ASMN1; SMN2
2-(Aminomethyl)Phenol SCHEMBL8025682 0.87 SLC1A5 (0.45) SLC1A5NPC1RAB9AKMT2ASMN1; SMN2
Cyclohexylamine SCHEMBL8035834 0.81 KMO (0.41) KMOADAMTS5PPARGPPARAFAAH
Cyclohexylamine SCHEMBL8035833 0.81 KMO (0.41) KMOADAMTS5PPARGPPARAFAAH
2-(Aminomethyl)Phenol SCHEMBL7801377 0.80 EPOR (0.45) NPC1RAB9AKMT2AEPORMAOA
Lysine SCHEMBL7802016 0.78 SLC1A5 (0.46) SLC1A5NPC1RAB9AKMT2AEPOR

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-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed