SCHEMBL11263651

SCHEMBL11263651

CN(Cc1cc(C(=O)OCCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc(Br)c1N)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ TTR P02766 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ABCB11 O95342 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL11155441 0.97 LMNA (0.42) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11155752 0.96 LMNA (0.42) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11170108 0.91 TTR (0.42) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11180179 0.91 TTR (0.42) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11255794 0.91 TTR (0.43) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11272017 0.90 TTR (0.41) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11261767 0.89 TTR (0.41) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11191194 0.89 TTR (0.41) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11178622 0.89 TTR (0.41) LMNATTRCYP2C9USP2TBXA2R
SCHEMBL11193054 0.89 TTR (0.41) LMNATTRCYP2C9USP2TBXA2R

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
Send feedback