SCHEMBL26475940

SCHEMBL26475940

C=CC(=O)OCCC1CC2CC1C1CCCC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.39
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.32
CA12 O43570 2/20 0.32
GMNN O75496 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
CA9 Q16790 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SGMS1 Q86VZ5 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
THRB P10828 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL21278894 0.85 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11982735 0.85 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19919371 0.85 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23979426 0.83 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19771570 0.83 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18386364 0.83 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13416198 0.82 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18831048 0.82 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18634260 0.82 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL24530128 0.82 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4

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-11643494-B2 Composition comprising styrene isobutylene block copolymer and ethylenically unsaturated monomer 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-05-09 US disclosed