SCHEMBL22855993

SCHEMBL22855993

C=CC(=O)OCC(C)(C)OCC(C)(C)OCCO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.49
TP53 P04637 3/20 0.49
HIF1A Q16665 3/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
THRB P10828 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL20696479 0.89 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20060321 0.83 ALDH1A1 (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL25007355 0.82 ALDH1A1 (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17067685 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22418021 0.79 ALDH1A1 (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23334173 0.79 THRB (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22198349 0.76 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27122429 0.75 ALDH1A1 (0.51) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15682924 0.75 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
2-Methoxyethanol SCHEMBL23928708 0.75 TSHR (0.55) 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
WO-2020264327-A1 EXTRACELLULAR MATRICES, USES THEREOF, AND METHODS OF MAKING EXTRACELLULAR MATRICES GEMSTONE BIOTHERAPEUTICS LLC (US) 2020-12-30 WO disclosed