SCHEMBL11874209

SCHEMBL11874209

CCCCCCCCCc1ccccc1OC(O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LIPG Q9Y5X9 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
PPARA Q07869 3/20 0.47
ADRB2 P07550 4/20 0.45
ADRB1 P08588 4/20 0.45
PPARG P37231 2/20 0.45
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
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42

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
SCHEMBL8745739 1.00 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL9453366 0.89 THRA (0.51) THRATHRBLIPGALOX5PTGS2
SCHEMBL20361845 0.87 HTR1A (0.47) THRATHRBPPARAADRB2ADRB1
SCHEMBL9336590 0.87 THRA (0.49) THRATHRBLIPGALOX5PTGS2
SCHEMBL382121 0.86 THRA (0.54) THRATHRBLIPGALOX5PTGS2
SCHEMBL21989 0.86 THRA (0.54) THRATHRBLIPGALOX5PTGS2
SCHEMBL28552517 0.86 THRA (0.54) THRATHRBLIPGALOX5PTGS2
Ammonia Solution, Strong SCHEMBL11585182 0.84 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL21879808 0.83 THRB (0.46) THRATHRBLIPGALOX5PTGS2
SCHEMBL7068001 0.83 THRA (0.51) THRATHRBLIPGALOX5PTGS2

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
CN-104194494-B A kind of high color fastness inking printing pigment ink and preparation method thereof 江苏格美高科技发展有限公司 2016-08-10 CN disclosed
US-3933733-A Phosphite stabilized polyvinyl chloride containing resins KYODO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 US disclosed