SCHEMBL29315898

SCHEMBL29315898

C=CC(=O)OCCCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
THRB P10828 2/20 0.54
HDAC2 Q92769 2/20 0.50
HDAC1 Q13547 1/20 0.50
MGLL Q99685 3/20 0.48
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL29315894 1.00 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL29315889 0.99 THRB (0.55) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL16489102 0.94 THRB (0.56) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL21242530 0.94 TSHR (0.61) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL13506252 0.94 TSHR (0.61) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL21242234 0.94 TSHR (0.61) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL21242266 0.93 TSHR (0.59) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL19730201 0.92 TSHR (0.51) ALDH1A1CYP3A4TSHRTHRBHDAC2
SCHEMBL233466 0.91 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL342569 0.91 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTHRBLMNA

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