SCHEMBL20029969

SCHEMBL20029969

CC(C)c1ccc(C(=O)OCCO)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KMT2A Q03164 2/20 0.38
TARBP2 Q15633 1/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.38
SLC7A5 Q01650 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL19223118 0.87 ALDH1A1 (0.38) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL23368575 0.86 ALDH1A1 (0.38) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL12907738 0.84 HPGD (0.51) L3MBTL1ALDH1A1HPGDHDAC4HDAC6
SCHEMBL18403909 0.83 HDAC4 (0.38) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL21940055 0.83 HDAC4 (0.57) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL21214908 0.82 ALDH1A1 (0.35) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL18404047 0.82 ALDH1A1 (0.42) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL12922375 0.81 ALDH1A1 (0.41) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL12565647 0.81 ALDH1A1 (0.41) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL21981941 0.80 HPGD (0.45) ALDH1A1HPGDHDAC4HDAC6TARBP2

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
WO-2018060241-A1 A PROCESS TO PREPARE A POLYESTER POLYMER AND A POLYESTER POLYMER OBTAINABLE THEREBY SULZER CHEMTECH AG (CH) 2018-04-05 WO disclosed