SCHEMBL27446221

SCHEMBL27446221

N=C(N)NCc1ccc(OCCOOCOOCOOCCNCCCOc2c(I)cc(Oc3c(I)cc(CC(=O)O)cc3I)cc2I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.48
▸ ITGAV P06756 6/20 0.48
▸ THRB P10828 9/20 0.41
▸ THRA P10827 7/20 0.41
▸ PPARG P37231 4/20 0.41
▸ PCNA P12004 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ RXRA P19793 2/20 0.41
▸ ABCB11 O95342 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ PGR P06401 1/20 0.41

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
SCHEMBL21100868 0.91 ITGB3 (0.55) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL27446346 0.91 ITGB3 (0.44) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL21101049 0.90 ITGB3 (0.54) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL27446344 0.88 ITGB3 (0.46) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL27446226 0.84 ITGB3 (0.43) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL23709969 0.82 ITGB3 (0.54) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL21100863 0.80 ITGB3 (0.45) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL12764506 0.75 THRB (0.57) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL23709968 0.73 ITGB3 (0.47) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL23709875 0.73 THRB (0.61) ITGB3ITGAVTHRBTHRAPPARG

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-3773540-B1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS LLC (US) 2024-07-03 — — EP disclosed
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