SCHEMBL13697348

SCHEMBL13697348

C=CC(=O)OCCCCCCOc1ccc(/C=C/c2ccc(OCCCCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.58
PPARA Q07869 5/20 0.54
ALB P02768 1/20 0.52
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
HDAC3 O15379 1/20 0.47
STAT3 P40763 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 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
SCHEMBL12889604 0.98 THRB (0.59) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL21791802 0.98 THRB (0.59) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL12889605 0.94 THRB (0.55) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL12889602 0.92 THRB (0.56) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL5625817 0.92 HTT (0.64) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL5625823 0.92 HTT (0.64) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL22131038 0.92 TSHR (0.50) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL26098551 0.91 TSHR (0.53) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL14907467 0.91 HDAC1 (0.50) TSHRALDH1A1CYP3A4THRBPPARA
SCHEMBL12735508 0.90 THRB (0.71) TSHRALDH1A1CYP3A4THRBPPARA

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-20090233043-A1 WATER-RESPONSIVE MECHANICAL ELEMENT AND A METHOD FOR MANUFACTURING SUCH AN ELEMENT KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2009-09-17 US disclosed
US-20090233043-A1 WATER-RESPONSIVE MECHANICAL ELEMENT AND A METHOD FOR MANUFACTURING SUCH AN ELEMENT KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2009-09-17 US disclosed