SCHEMBL29054012

SCHEMBL29054012

CCCCCCc1ccccc1C(=O)OC(=O)c1cccc(NCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
SLC16A3 O15427 2/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
THRA P10827 1/20 0.39

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
SCHEMBL30656414 0.82 TSHR (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1712189 0.82 ALDH1A1 (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL570967 0.80 BID (0.54) BIDMCL1BCL2L1BAK1KAT8
Diethylamine SCHEMBL571942 0.80 BID (0.48) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29029288 0.79 ALDH1A1 (0.62) TSHRALDH1A1LMNA
SCHEMBL825447 0.79 BID (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28993142 0.79 TSHR (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8512469 0.78 TSHR (0.51) TSHRALDH1A1LMNATHRATHRB
SCHEMBL1790208 0.77 TSHR (0.48) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9578113 0.77 TSHR (0.50) BIDMCL1BCL2L1BAK1KAT8

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-116600777-A Increased solubilization of diethylaminohydroxybenzoyl hexyl benzoate 帝斯曼知识产权资产管理有限公司 2023-08-15 CN disclosed