SCHEMBL27653356

SCHEMBL27653356

O=C(O)c1cccc(CCOCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.56
FOLH1 Q04609 1/20 0.53
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MRGPRX4 Q96LA9 10/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL27650204 0.86 NR4A2 (0.65) NR4A2FOLH1ALDH1A1NPSR1MRGPRX4
SCHEMBL25284732 0.84 MRGPRX4 (0.56) NR4A2FOLH1ALDH1A1NPSR1MRGPRX4
SCHEMBL6000790 0.83 MRGPRX4 (0.68) NR4A2FOLH1ALDH1A1NPSR1MRGPRX4
SCHEMBL11427053 0.82 ALDH1A1 (0.57) NR4A2FOLH1ALDH1A1NPSR1MRGPRX4
SCHEMBL30395109 0.81 FOLH1 (0.66) NR4A2FOLH1MRGPRX4KMT2A
SCHEMBL1817886 0.81 FOLH1 (0.66) NR4A2FOLH1MRGPRX4KMT2A
Bicarbonate SCHEMBL28004703 0.81 TSHR (0.56) ALDH1A1TP53RAB9ASMN1; SMN2NPC1
SCHEMBL3312463 0.81 MRGPRX4 (0.60) FOLH1ALDH1A1NPSR1MRGPRX4TP53
SCHEMBL371526 0.80 FOLH1 (0.70) NR4A2FOLH1MRGPRX4KMT2A
SCHEMBL27832544 0.80 MRGPRX4 (0.49) NR4A2CYSLTR1FOLH1ALDH1A1NPSR1

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
CN-1832928-B 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-07-04 CN disclosed
CN-1832928-A 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2006-09-13 CN disclosed