SCHEMBL11153159

SCHEMBL11153159

Nc1c(Br)cc(C(=O)OCCCCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1CNC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA12 O43570 5/20 0.41
▸ CA4 P22748 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ PTGS2 P35354 3/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ UGT1A9 O60656 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MT-CO2 P00403 1/20 0.38
▸ ALB P02768 1/20 0.38

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
SCHEMBL11259309 0.99 TTR (0.43) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155990 0.88 TTR (0.40) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155993 0.88 TTR (0.41) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155858 0.88 TTR (0.40) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155862 0.87 TTR (0.41) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11153119 0.86 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155441 0.86 LMNA (0.42) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155752 0.85 LMNA (0.42) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11272015 0.85 TTR (0.42) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11155874 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 — — EP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 — — EP disclosed
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