SCHEMBL9811787

SCHEMBL9811787

C=CC(=O)OCCOC(=O)C1CCC=CC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.34

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
SCHEMBL9811791 0.89 THRB (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6272690 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28063283 0.84 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7199881 0.84 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6301441 0.83 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10520704 0.82 POLB (0.38) TSHRALDH1A1CYP3A4
SCHEMBL2766479 0.80 TSHR (0.36) TSHR
SCHEMBL2781080 0.80 THRB (0.39) TSHRALDH1A1THRB
Acrylic Acid SCHEMBL28010758 0.77 TP53 (0.47) ALDH1A1TP53CYP3A4
SCHEMBL4913171 0.76 MAPT (0.31)

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
CN-115443436-A Laminated film for pattern formation, non-photosensitive screen printing plate, and method for producing same 株式会社村上 2022-12-06 CN disclosed
US-5069999-A PRESENSITIZED FUJI PHOTO FILM CO., LTD. (JP) 1991-12-03 US disclosed