SCHEMBL9696079

SCHEMBL9696079

NCC(C(=O)O)c1c(I)cc(I)cc1I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.33
LMNA P02545 4/20 0.31
HIF1A Q16665 2/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
KDM4E B2RXH2 2/20 0.30
BLM P54132 2/20 0.30
PMP22 Q01453 2/20 0.30
TSHR P16473 2/20 0.30
MAOB P27338 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
THPO P40225 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
SCHEMBL20677444 0.77 CYP2C19 (0.50) TTR
SCHEMBL7150207 0.71 TTR (0.39) TTRLMNAHIF1AADRA1AKDM4E
SCHEMBL3834562 0.71
SCHEMBL5572712 0.71
SCHEMBL9637089 0.69 TTR (0.42) TTRLMNAHIF1ACYP1A2CYP2C9
SCHEMBL4754404 0.68 LMNA (0.37) TTRLMNAHIF1ACHRM1TBXA2R
SCHEMBL3382837 0.67 CES2 (0.44) TTRCPN1CPB2TDP1PPARG
SCHEMBL28332935 0.66 CPN1 (0.48) LMNAHIF1ACYP1A2CYP2C9CPN1
SCHEMBL3831293 0.66 TDP1 (0.36) TTRLMNAHIF1ACHRM1TBXA2R
SCHEMBL3351279 0.63 KDM4E (0.34) LMNAHIF1ACPN1CPB2KDM4E

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
US-5093042-A Site-specific for liver; diagnosis of metastatic cancer THE UNIVERSITY OF MICHIGAN (US) 1992-03-03 US disclosed
US-4957729-A CONTRAST THE UNIVERSITY OF MICHIGAN (US) 1990-09-18 US disclosed
US-4873075-A SITE-SPECIFIC TO LIVER AND HEPATOCYTE; SCINTIGRAPHY IMAGING THE UNIVERSITY OF MICHIGAN (US) 1989-10-10 US disclosed