SCHEMBL29569895

SCHEMBL29569895

C=CC(=O)OCCOCCCOC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 2/20 0.53
HIF1A Q16665 2/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP3A4 P08684 1/20 0.41
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 10/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL14962546 0.88 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13385124 0.77 ALDH1A1 (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26002003 0.75 TSHR (0.78) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26002001 0.75 TSHR (0.78) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14441804 0.73 TSHR (0.83) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15247537 0.73 TSHR (0.83) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26920871 0.73 TSHR (0.83) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL822759 0.73 TSHR (0.83) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15247156 0.73 TSHR (0.83) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2921943 0.73 TSHR (0.74) TSHRALDH1A1TP53HIF1AHSD17B10

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
WO-2022113829-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE ELEMENT, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR MANUFACTURING PRINTED CIRCUIT BOARD 昭和電工マテリアルズ株式会社 2022-06-02 WO disclosed
WO-2022113161-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE ELEMENT, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR PRODUCING PRINTED WIRING BOARD 昭和電工マテリアルズ株式会社 2022-06-02 WO disclosed