SCHEMBL7649975

SCHEMBL7649975

C=C(CC=CC(=O)O)C(=O)OC.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.38
▸ HCAR2 Q8TDS4 3/20 0.37
▸ ESR1 P03372 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5613338 0.89 HCAR2 (0.47) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL1959213 0.85 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL2897557 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDHCAR2
Maleic Acid SCHEMBL28119985 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid SCHEMBL11783796 0.82 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL4530367 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL10356348 0.81 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid Ethyl Ester SCHEMBL17956576 0.81 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL10476946 0.81 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL6129270 0.81 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDHCAR2

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-6475316-B1 Methods of enhancing adhesion 3M INNOVATIVE PROPERTIES COMPANY 2002-11-05 — — US disclosed
WO-2002004550-A2 METHODS OF ENHANCING ADHESION 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-01-17 — — WO disclosed
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