SCHEMBL8219151

SCHEMBL8219151

[O-][n+]1ccc(C(=Cc2ccccc2)N(CCCO)CCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.41
MC4R P32245 2/20 0.34
MC5R P33032 2/20 0.34
MC3R P41968 1/20 0.34
PRMT1 Q99873 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FBP1 P09467 3/20 0.31
RAB9A P51151 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
SCHEMBL5128478 0.73 LMNA (0.41) MC4RMC5RMC3RLMNA
SCHEMBL6090753 0.72 HPGD (0.45) ALDH1A1LMNAHDAC1HDAC6
SCHEMBL6379933 0.72 HPGD (0.45) ALDH1A1LMNAHDAC1HDAC6
SCHEMBL9715375 0.71 NPC1 (0.46) ACKR3ALDH1A1LMNARAB9A
SCHEMBL2428644 0.71 LMNA (0.47) LMNAHDAC1HDAC6
SCHEMBL5499677 0.71 LMNA (0.47) LMNAHDAC1HDAC6
SCHEMBL11206642 0.64 NPC1 (0.49) ALDH1A1LMNARAB9A
SCHEMBL12411252 0.64 NPC1 (0.49) ALDH1A1LMNARAB9A
Iodide SCHEMBL8678342 0.64 CYP2D6 (0.33) ACKR3PRMT1RAB9A
Iodide SCHEMBL8678341 0.64 CYP2D6 (0.33) ACKR3PRMT1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6033774-A Self-assembled superlattices and waveguides prepared for use therewith NORTHWESTERN UNIVERSITY (US) 2000-03-07 US disclosed
WO-1996018702-A1 SELF-ASSEMBLED SUPERLATTICES AND WAVEGUIDES PREPARED FOR USE THEREWITH NORTHWESTERN UNIVERSITY (US) 1996-06-20 WO disclosed
US-5156918-A SELF-ASSEMBLED SUPER LATTICES NORTHWESTERN UNIVERSITY (US) 1992-10-20 US disclosed
WO-1992017333-A1 SELF-ASSEMBLED SUPER LATTICES NORTHWESTERN UNIVERSITY (US) 1992-10-15 WO disclosed