SCHEMBL11534600

SCHEMBL11534600

C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(C)(CCC(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11535487 0.84 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11536742 0.83 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11532485 0.83 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5808485 0.80 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11532661 0.75 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11534210 0.72 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11537408 0.70 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11167503 0.69 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.67 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.67 TSHR (0.63) 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-4150234-A WATER RESISTANT CIBA-GEIGY CORPORATION (US) 1979-04-17 US disclosed