SCHEMBL6673095

SCHEMBL6673095

Cc1cccc[n+]1CCCCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.42
TBXA2R P21731 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
Bromide SCHEMBL285416 0.98 POLB (0.72) POLBSMN1; SMN2NPC1RAB9AHDAC3
SCHEMBL28802070 0.86 SMN1; SMN2 (0.56) POLBSMN1; SMN2NPC1RAB9AHDAC3
SCHEMBL3606677 0.84 NPC1 (0.96) POLBSMN1; SMN2NPC1RAB9ABCHE
SCHEMBL3592351 0.84 NPC1 (0.96) POLBSMN1; SMN2NPC1RAB9ABCHE
SCHEMBL3598215 0.84 NPC1 (0.96) POLBSMN1; SMN2NPC1RAB9ABCHE
SCHEMBL3603641 0.84 NPC1 (0.96) POLBSMN1; SMN2NPC1RAB9ABCHE
SCHEMBL3600997 0.84 NPC1 (0.96) POLBSMN1; SMN2NPC1RAB9ABCHE
SCHEMBL4890046 0.84 NPC1 (0.96) POLBSMN1; SMN2NPC1RAB9ABCHE
Bromide SCHEMBL4887911 0.82 NPC1 (1.00) POLBSMN1; SMN2NPC1RAB9ABCHE
Bromide SCHEMBL3595600 0.82 NPC1 (1.00) POLBSMN1; SMN2NPC1RAB9ABCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318177-B1 Compound, in particular marker-dye, based on polymethines DYOMICS GMBH (DE) 2004-09-22 EP disclosed
EP-1318177-A2 Compound, in particular marker-dye, based on polymethines Dyomics GmbH (DE) 2003-06-11 EP disclosed