SCHEMBL9308581

SCHEMBL9308581

C=CC(=O)OCCc1ccccc1CCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.67
THRA P10827 4/20 0.67
TSHR P16473 3/20 0.54
HPGD P15428 1/20 0.54
LIPG Q9Y5X9 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
PPARA Q07869 2/20 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
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 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
SCHEMBL27748616 0.88 THRB (0.55) THRBTHRATSHRHPGDALDH1A1
SCHEMBL28035844 0.87 THRB (0.61) THRBTHRATSHRHPGDLIPG
SCHEMBL10824963 0.87 THRB (0.72) THRBTHRATSHRHPGDLIPG
SCHEMBL3259951 0.87 THRB (0.72) THRBTHRATSHRHPGDLIPG
SCHEMBL4595925 0.82 THRB (0.58) THRBTHRATSHRHPGDLIPG
Acrylic Acid Ethyl Ester SCHEMBL28230345 0.82 THRB (0.62) THRBTHRATSHRHPGDLIPG
SCHEMBL28839036 0.81 THRB (0.55) THRBTHRATSHRHPGDLIPG
Water SCHEMBL27505131 0.81 THRB (0.58) THRBTHRATSHRHPGDMEN1
SCHEMBL28338758 0.80 THRB (0.57) THRBTHRATSHRHPGDALDH1A1
SCHEMBL2289077 0.80 THRB (1.00) THRBTHRALIPGMEN1KMT2A

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
US-5330686-A Crosslinked acrylic ester polymer, benzoxazine compound PPG INDUSTRIES, INC. (US) 1994-07-19 US disclosed
WO-1994004952-A1 TEMPERATURE STABLE AND SUNLIGHT PROTECTED PHOTOCHROMIC ARTICLES PPG INDUSTRIES, INC. (US) 1994-03-03 WO disclosed