SCHEMBL7108485

SCHEMBL7108485

CCCCOc1ccc([I+]c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD4 P21917 6/20 0.52
DRD3 P35462 6/20 0.52
LTA4H P09960 3/20 0.48
NR5A1 Q13285 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
Hydrochloric Acid SCHEMBL7101604 0.98 DRD2 (0.50) DRD2DRD4DRD3LTA4HNR5A1
SCHEMBL859596 0.92 LTA4H (0.55) LTA4HNR5A1CYP3A4CYP2D6ALDH1A1
SCHEMBL109524 0.88 DRD2 (0.63) DRD2DRD4DRD3LTA4HNR5A1
SCHEMBL2436444 0.86 NR5A1 (0.63) LTA4HNR5A1LMNA
SCHEMBL1127790 0.86 NR5A1 (0.63) LTA4HNR5A1LMNA
SCHEMBL4840506 0.86 NR5A1 (0.63) LTA4HNR5A1LMNA
SCHEMBL838115 0.86 NR5A1 (0.63) LTA4HNR5A1LMNA
SCHEMBL12095500 0.86 CA12 (0.53) DRD2DRD4DRD3MEN1KMT2A
Butane SCHEMBL14858436 0.86 DRD2 (0.61) DRD2DRD4DRD3LTA4HNR5A1
SCHEMBL3200931 0.85 LTA4H (0.63) DRD2DRD3LTA4HNR5A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974595-B1 PROCESS FOR PRODUCING BORON COMPOUNDS SHOWA DENKO KK (JP) 2003-10-01 EP disclosed
EP-0922708-B1 Production method of borate compounds SHOWA DENKO KK (JP) 2003-05-14 EP disclosed
US-6140537-A REACTING AN ORGANIC OXYBORON COMPOUND WITH LITHIUM, MAGNESIUM, OR COMPOUND THEREOF; FORMING BORON ANION COMPOUND; ION EXCHANGING SHOWA DENKO K.K. (JP) 2000-10-31 US disclosed
EP-0974595-A1 PROCESS FOR PRODUCING BORON COMPOUNDS Showa Denko Kabushiki Kaisha (JP) 2000-01-26 EP disclosed
US-6002044-A REACTING A LITHIUM OR MAGNEISIUM, A HALIDE AND A BORONATE PRECURSOR OBTAINED IN A FIRSST SIMILAR STEP USING A BORIDE; ADDING AN ONIIUM HALIDE TO THE METAL BORATE; PURITY SHOWA DENKO K.K. (JP) 1999-12-14 US disclosed
EP-0922708-A2 Production method of borate compounds SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-06-16 EP disclosed