SCHEMBL29315964

SCHEMBL29315964

C=CC(=O)OCCCOC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.52
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
PDE6D O43924 1/20 0.43
HDAC1 Q13547 8/20 0.40
HDAC2 Q92769 8/20 0.40
HDAC3 O15379 6/20 0.40
HDAC4 P56524 6/20 0.40
HDAC7 Q8WUI4 6/20 0.40
HDAC10 Q969S8 6/20 0.40
HDAC11 Q96DB2 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC9 Q9UKV0 6/20 0.40
HDAC5 Q9UQL6 6/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL29315969 0.96 TSHR (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29315967 0.94 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL8961894 0.91 THRB (0.62) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL16379501 0.90 THRB (0.46) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL8961853 0.88 THRB (0.62) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL16893759 0.87 THRB (0.69) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14984774 0.87 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14984471 0.87 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL8961917 0.85 THRB (0.71) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29315919 0.85 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed