SCHEMBL21727971

SCHEMBL21727971

CC(=O)N(CC(O)CN(C=O)c1c(C)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(C)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
CYP2C19 P33261 1/20 0.69
HIF1A Q16665 1/20 0.69
EGFR P00533 1/20 0.30
SRC P12931 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
SCHEMBL19261523 0.97 LMNA (0.74) LMNACYP2C19HIF1A
SCHEMBL2763800 0.92 LMNA (0.83) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19645487 0.92 LMNA (0.61) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19261514 0.91 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19645492 0.91 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL10329899 0.91 LMNA (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL20350848 0.90 LMNA (0.86) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL20034186 0.90 LMNA (0.82) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14601670 0.90 CYP2C19 (0.86) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL16202566 0.89 LMNA (0.78) LMNACYP2C19HIF1AEGFRSRC

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
EP-2793951-B1 STABILIZATION OF X-RAY DIAGNOSTIC COMPOSITION GE HEALTHCARE AS (NO) 2020-02-19 EP disclosed