SCHEMBL16167659

SCHEMBL16167659

CC(=O)Cc1cc(I)c(Oc2cc(I)c(OCCCN3CCSCC3)c(I)c2)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.50
▸ ITGAV P06756 4/20 0.50
▸ THRB P10828 6/20 0.44
▸ THRA P10827 5/20 0.44
▸ PPARG P37231 5/20 0.44
▸ RXRA P19793 3/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TTR P02766 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ TBXA2R P21731 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
SCHEMBL6852167 0.90 ITGB3 (0.60) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL6852144 0.90 ITGB3 (0.49) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL16167657 0.78 THRB (0.53) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL25819213 0.77 THRB (0.70) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL19695859 0.75 THRB (0.58) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL24486433 0.75 ITGB3 (0.57) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL19677580 0.73 THRB (0.48) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL13949709 0.73 THRB (0.77) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL19677576 0.73 THRB (0.47) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL16167658 0.70 THRB (0.44) 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
US-8859539-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2014-10-14 — — US disclosed
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