SCHEMBL26401138

SCHEMBL26401138

C=CC(=O)OCCC1CC2CC1C(CC)C2CCC(C)OC(=O)C=C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.30
▸ TP53 P04637 2/20 0.30
▸ HIF1A Q16665 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21190228 0.90 TSHR (0.32) TSHR
SCHEMBL23059633 0.84 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22251732 0.83 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21032475 0.76 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7080620 0.73 HSD11B1 (0.35) TSHR
SCHEMBL21389594 0.73 TSHR (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12510864 0.70 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23979679 0.70 TSHR (0.32) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20911095 0.70 TSHR (0.32) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13446541 0.70 — —

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-11780172-B2 Water-breakable formulations and additive manufacturing processes employing same STRATASYS LTD. (IL) 2023-10-10 — — US disclosed
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