SCHEMBL21778998

SCHEMBL21778998

C=CC(=O)OCCCCCC1C2CC(CCOC(=O)C=C)C(C2)C1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.40
▸ TP53 P04637 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ THRB P10828 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
SCHEMBL22251732 0.85 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23059633 0.81 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24393484 0.79 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21032475 0.73 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18386364 0.71 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23979426 0.71 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19771570 0.71 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26475940 0.71 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24530128 0.70 TSHR (0.38) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18831048 0.70 TSHR (0.38) TSHRALDH1A1CYP3A4HPGDTP53

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-10577436-B2 Polymerization system using double click michael addition and photopolymerization UNIVERSITÉ DE HAUTE-ALSACE (FR) 2020-03-03 — — US disclosed
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