SCHEMBL11257391

SCHEMBL11257391

CCN(Cc1cc(C(=O)OCCN(C)CCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc(Br)c1N)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGS2 P35354 4/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ AKR1B10 O60218 1/20 0.34
▸ UGT1A9 O60656 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ MT-CO2 P00403 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ CXCL8 P10145 1/20 0.34
▸ UGT1A6 P19224 1/20 0.34
▸ UGT1A1 P22309 1/20 0.34
▸ CXCR1 P25024 1/20 0.34
▸ ADRA1A P35348 1/20 0.34

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
SCHEMBL11170108 0.95 TTR (0.42) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11180179 0.95 TTR (0.42) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11261127 0.95 TTR (0.40) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11255794 0.94 TTR (0.43) TTRCYP2C9USP2LMNATBXA2R
Hydrochloric Acid SCHEMBL11270831 0.94 LMNA (0.39) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11193054 0.94 TTR (0.41) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11178622 0.94 TTR (0.41) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11191194 0.94 TTR (0.41) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11265392 0.93 TTR (0.39) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11267375 0.93 TTR (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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