SCHEMBL11259678

SCHEMBL11259678

Cc1ccccc1CNCc1cc(C(=O)OCCCCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc(Br)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGS2 P35354 4/20 0.43
▸ CA12 O43570 6/20 0.43
▸ CA4 P22748 6/20 0.43
▸ CA9 Q16790 6/20 0.43
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ PTGS1 P23219 2/20 0.40
▸ CXCL8 P10145 2/20 0.40
▸ AKR1B10 O60218 1/20 0.40
▸ UGT1A9 O60656 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ MT-CO2 P00403 1/20 0.40

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
SCHEMBL11153902 0.99 TTR (0.45) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11153119 0.88 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11156735 0.88 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155874 0.88 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155234 0.88 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155176 0.86 TTR (0.48) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11266944 0.86 TTR (0.44) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11157223 0.86 TTR (0.47) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11152834 0.85 TTR (0.44) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11177283 0.85 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R

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-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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