SCHEMBL20911095

SCHEMBL20911095

C=CC(=O)OCCC1CC2CC1C1C2CCC1C(C)OC(=O)C=C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.32
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ CYP3A4 P08684 1/20 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
SCHEMBL23979679 1.00 TSHR (0.32) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19771574 0.87 TSHR (0.32) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18634260 0.82 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24530128 0.82 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21389594 0.81 TSHR (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22902679 0.76 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21389610 0.76 TSHR (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20160857 0.76 TSHR (0.30) TSHR
SCHEMBL18831048 0.74 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26475940 0.73 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A

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-20190112438-A1 ANAEROBIC COMPOSITE MATRIX RESINS TEXAS RESEARCH INTERNATIONAL, INC. (US) 2019-04-18 — — US disclosed
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