SCHEMBL7652059

SCHEMBL7652059

OC1(C2=Cc3ccccc3C2)CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
MAOA P21397 1/20 0.35
HDAC9 Q9UKV0 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
SLC18A3 Q16572 2/20 0.32
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.32
SIGMAR1 Q99720 4/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL5796055 0.72 HDAC9 (0.50) MAOBKDM1AHCAR2HDAC9TSHR
SCHEMBL19130584 0.72 HDAC9 (0.50) MAOBKDM1AHCAR2HDAC9TSHR
SCHEMBL3053835 0.72 KDM1A (0.43) MAOBKDM1AHCAR2HDAC9TSHR
SCHEMBL6289733 0.69 KDM1A (0.41) MAOBKDM1AHDAC9TSHRTDP1
SCHEMBL19130585 0.69 KDM1A (0.41) MAOBKDM1AHDAC9TSHRTDP1
SCHEMBL5698289 0.68 HCAR2 (0.34) MAOBKDM1AHCAR2HDAC9
SCHEMBL7885283 0.68 BRD4 (0.40) MAOBKDM1AHDAC9TSHRTDP1
SCHEMBL8865954 0.68 BRD4 (0.38) MAOBKDM1AHCAR2HDAC9TSHR
SCHEMBL7892604 0.67 MAOA (0.36) MAOBMAOAHTR2ATRPA1ALDH1A1
SCHEMBL5871752 0.67 CYP3A4 (0.57) MAOBKDM1AHDAC9TSHRTDP1

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-1250342-A1 BRIDGED METALLOCENE COMPOUNDS AS OLEFIN-POLYMERIZATION CATALYSTS Polimeri Europa S.p.A. (IT) 2002-10-23 EP disclosed
WO-2001040238-A1 BRIDGED METALLOCENE COMPOUNDS AS OLEFIN-POLYMERIZATION CATALYSTS POLIMERI EUROPA S.P.A. (IT) 2001-06-07 WO disclosed