SCHEMBL2826530

SCHEMBL2826530

COc1ccc(NC(=O)Nc2cccc(CCNC(=O)O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.65
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
CNR1 P21554 2/20 0.61
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HIF1A Q16665 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 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
SCHEMBL2849248 0.87 MEN1 (0.62) FPR2TP53TSHRCNR1KMT2A
SCHEMBL1204773 0.84 TP53 (0.66) FPR2TP53TSHRCNR1KMT2A
SCHEMBL2823639 0.84 CNR1 (0.57) CNR1KMT2AMEN1NPC1RAB9A
SCHEMBL4124694 0.82 MAPT (0.75) TP53TSHRKMT2AMEN1NPC1
SCHEMBL2827217 0.81 HTT (0.56) FPR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL2827311 0.80 KMT2A (0.72) FPR2TP53CNR1KMT2AMEN1
SCHEMBL2205978 0.80 MTNR1A (0.65) CNR1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL23727730 0.80 SMN1; SMN2 (0.74) FPR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL8059186 0.80 KMT2A (0.55) CNR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL1205487 0.78 TP53 (0.55) FPR2TP53TSHRCNR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254860-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-12-01 EP disclosed
WO-2009106351-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-09-03 WO disclosed
EP-2096105-A1 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor Laboratorios Almirall, S.A. (ES) 2009-09-02 EP disclosed