SCHEMBL8095732

SCHEMBL8095732

Nc1c(I)cc(I)c(CCCCCC(=O)O)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CYP2C9 P11712 2/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
PDE4A P27815 1/20 0.48
ADRA1A P35348 1/20 0.48
CYP1A2 P05177 1/20 0.48
HIF1A Q16665 1/20 0.48
F13A1 P00488 3/20 0.45
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL9695548 1.00 LMNA (0.48) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL4522860 1.00 LMNA (0.48) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9694437 1.00 LMNA (0.48) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL8087407 0.98 LMNA (0.49) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL8095483 0.94 CYP1A2 (0.50) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9695748 0.82 LMNA (0.44) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9694448 0.81 CYP1A2 (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL19379585 0.81 CYP1A2 (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL10495784 0.80 F13A1 (0.40) LMNACYP2C9CHRM1TBXA2RPDE4A
Adipic Acid SCHEMBL11592222 0.78 TSHR (0.53) LMNACYP2C9CHRM1TBXA2RPDE4A

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-6103216-A POLYHALOGENATED TRIGLYCERIDES, SUCH AS 2-OLEOYLGLYCEROL-1,3-BIS(7-(3-AMINO-2,4,6-TRIIODOPHENYL)HEPTAN OATE) OR 2-OLEOYLGLYCEROL-1,3-BIS(.OMEGA.-(3,5-BIS-TRIFLUOROMETHYL)-HEP THE BOARD OF REGENTS ACTING FOR AND ON BEHALF OF THE UNIVERSITY OF MICHIGAN (US) 2000-08-15 US disclosed