SCHEMBL9817364

SCHEMBL9817364

OB(O)C1CCCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC18A3 Q16572 1/20 0.42
GRIA4 P48058 2/20 0.41
MAOB P27338 8/20 0.39
MAOA P21397 7/20 0.39
KDM1A O60341 5/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2B6 P20813 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2A6 P11509 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL9817367 1.00 MEN1 (0.50) MEN1KMT2ASLC18A3GRIA4MAOB
SCHEMBL10489495 1.00 MEN1 (0.50) MEN1KMT2ASLC18A3GRIA4MAOB
SCHEMBL4608515 0.80 MEN1 (0.42) MEN1KMT2ASLC18A3GRIA4MAOB
SCHEMBL4607348 0.80 GRIA4 (0.45) MEN1KMT2ASLC18A3GRIA4MAOB
SCHEMBL29954166 0.77 MAOB (0.48) MEN1KMT2AMAOBMAOAKDM1A
SCHEMBL1781688 0.77 MAOB (0.48) MEN1KMT2AMAOBMAOAKDM1A
SCHEMBL1722128 0.77 MAOB (0.48) MEN1KMT2AMAOBMAOAKDM1A
Bicarbonate SCHEMBL7569185 0.74 MEN1 (0.57) MEN1KMT2ASLC18A3GRIA4MAOB
SCHEMBL19192739 0.74 SLC18A3 (0.61) MEN1KMT2ASLC18A3GRIA4MAOB
SCHEMBL415662 0.73 MEN1 (0.65) MEN1KMT2AMAOBMAOAKDM1A

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
EP-0188235-B1 PRODUCTION OF OPTICALLY PURE ORGANOBORANES Aldrich Chemical Company, Inc. (US) 1991-12-11 EP disclosed