SCHEMBL3284080

SCHEMBL3284080

C=CC(=O)ON(CC)OC(=O)C=C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 6/20 0.39
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 4/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRA P10827 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
SCHEMBL17965912 0.89 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3278402 0.82 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2775308 0.81 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27932407 0.79
Hydrochloric Acid SCHEMBL27955705 0.77 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Bromide SCHEMBL30406489 0.77 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18839966 0.76 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13899887 0.76 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4THRB
Butane SCHEMBL1325593 0.74 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17420127 0.74 TSHR (0.38) 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
EP-1645297-B1 Biodegradable absorbent material KIMBERLY CLARK CO (US) 2010-06-16 EP claimed