SCHEMBL11569840

SCHEMBL11569840

O=C(O)OCCCCCc1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL11571254 1.00 HRH4 (0.45) HRH4HRH3LMNAFFAR1MAPT
SCHEMBL11571424 1.00 HRH4 (0.45) HRH4HRH3LMNAFFAR1MAPT
SCHEMBL11596869 0.93 LMNA (0.51) HRH4HRH3LMNAFFAR1NPC1
SCHEMBL11569838 0.88 HRH4 (0.46) HRH4HRH3LMNAFFAR1
SCHEMBL11593465 0.85 HCAR2 (0.43) HRH4HRH3FFAR1NPC1RAB9A
SCHEMBL1263885 0.85 HRH4 (0.44) HRH4HRH3LMNAFFAR1NAAA
SCHEMBL2310305 0.85 HRH4 (0.44) HRH4HRH3LMNAFFAR1NAAA
SCHEMBL1263483 0.85 HRH4 (0.44) HRH4HRH3LMNAFFAR1NAAA
SCHEMBL21681727 0.84 LMNA (0.62) LMNAFFAR1MAPTRXFP1NPC1
SCHEMBL21681726 0.84 LMNA (0.62) LMNAFFAR1MAPTRXFP1NPC1

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-4175544-A X-RAYS OF BODY FOR MEDICAL DIAGNOSIS Lafayette Pharmacal Inc. (US) 1979-11-27 US disclosed