SCHEMBL25647264

SCHEMBL25647264

C=C(C)C(=O)OCC(O)COC(=O)C1CCCCCCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
TSHR P16473 3/20 0.46
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23369734 1.00 ADRB2 (0.54) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL3408548 0.92 TSHR (0.50) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL3408551 0.85 TSHR (0.44) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL14533165 0.85 ADRB2 (0.42) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL25647262 0.82 ALDH1A1 (0.47) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL23957947 0.82 ALDH1A1 (0.47) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL23957948 0.82 ALDH1A1 (0.47) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL4073158 0.82 TSHR (0.46) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL24595817 0.81 ADRB2 (0.59) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL26073523 0.81 ADRB2 (0.59) ADRB2ADRB1ADRB3ALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174707-A1 POLYMERIZABLE THERMOSETTING RESINS FROM TALL OIL MAINSTREAM PINE PRODUCTS, LLC 2023-06-08 US disclosed