SCHEMBL11535487

SCHEMBL11535487

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
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
SCHEMBL11532485 0.99 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11536742 0.99 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11534210 0.86 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11537408 0.84 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11534600 0.84 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5808485 0.80 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11536086 0.78 TSHR (0.38) TSHRHPGDTHRB
SCHEMBL11536000 0.77 TSHR (0.38) TSHRHPGD
SCHEMBL11532059 0.77 TSHR (0.38) TSHRHPGD
SCHEMBL11532661 0.73 TSHR (0.37) TSHRHPGDALDH1A1CYP3A4THRB

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