SCHEMBL24254586

SCHEMBL24254586

COC(=O)C(C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
PAX8 Q06710 1/20 0.51
LDHA P00338 1/20 0.49
PTGS2 P35354 3/20 0.47
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
PTGS1 P23219 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
TSHR P16473 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47

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
SCHEMBL1042666 0.90 ALDH1A1 (0.56) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL1451206 0.88 RAB9A (0.57) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL7368797 0.88 MMP8 (0.50) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL5431219 0.85 RAB9A (0.47) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL31579588 0.84 ACACB (0.54) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL11210093 0.83 NPC1 (0.53) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL7314134 0.83 RAB9A (0.53) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL2914808 0.82 KMT2A (0.64) PTGS2PTGS1ALDH1A1TSHRMEN1
SCHEMBL19926010 0.82 MMP8 (0.51) RAB9ANPSR1NPC1MAPTPAX8
SCHEMBL15665536 0.82 CA1 (0.52) RAB9ANPSR1NPC1MAPTPAX8

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-2022036033-A2 SOLID STATE FORMS OF AN ORGANIC COMPOUND SERVIER PHARMACEUTICALS, LLC (US) 2022-02-17 WO disclosed