SCHEMBL28933729

SCHEMBL28933729

C=CC(=O)Oc1ccccc1CCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 1.00
THRA P10827 4/20 1.00
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
LIPG Q9Y5X9 1/20 0.46
PTGS2 P35354 3/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43

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
SCHEMBL2289077 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL29689968 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL111780 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL4475068 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL11576159 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL28432248 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL6931222 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL28428731 1.00 THRB (1.00) THRBTHRAPPARAPPARGLIPG
SCHEMBL11031158 0.99 THRB (0.97) THRBTHRAPPARAPPARGLIPG
Ethylene Glycol SCHEMBL9010605 0.96 THRB (0.92) THRBTHRAPPARAPPARGLIPG

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
CN-111065667-B Multi-component dispersants 毕克化学有限公司 2022-03-04 CN disclosed