SCHEMBL8922938

SCHEMBL8922938

CCC(C)OP(=O)(O)C=Cc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.36
APP P05067 3/20 0.35
NQO2 P16083 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4998686 0.81 PTGS2 (0.47) CYP19A1APPMAOBALDH1A1KDM4E
SCHEMBL7501045 0.74 LMNA (0.35) CYP19A1MAOANPC1LMNARAB9A
SCHEMBL1250328 0.74 SRC (0.36)
SCHEMBL915104 0.72 FDPS (0.40) MAOAALDH1A1NPC1LMNARAB9A
SCHEMBL11342686 0.71 SMPD1 (0.32)
SCHEMBL8920661 0.70 FDPS (0.38) CYP19A1MAOAMAOBSMN1; SMN2FDPS
SCHEMBL6254433 0.69 ABL1 (0.41) ALDH1A1HTTKDM4EMEN1NPC1
SCHEMBL8922929 0.69 APP (0.39) CYP19A1APPNQO2MAOAMAOB
SCHEMBL8922931 0.69 APP (0.39) CYP19A1APPNQO2MAOAMAOB
SCHEMBL1629454 0.67 ALOX5 (0.34) ALDH1A1HTTKDM4EMEN1MAPT

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-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed