SCHEMBL8734338

SCHEMBL8734338

CCC1=Cc2ccccc2C1C1=C(C)[CH]c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7194856 0.73
SCHEMBL7919016 0.69 KDM4E (0.33) KDM4EHSD17B10
SCHEMBL7647630 0.68 PNMT (0.43) KDM4EALDH1A1HPGDMAPT
SCHEMBL8736736 0.68
SCHEMBL6344924 0.67 DRD2 (0.38) KDM4EHSD17B10
SCHEMBL27372929 0.67 CYP11B1 (0.33) KDM4EHSD17B10
SCHEMBL5859366 0.67 CYP11B1 (0.33) KDM4EHSD17B10
SCHEMBL16829441 0.66 CYP2D6 (0.33) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8734173 0.66 HTR2A (0.33)
SCHEMBL1452158 0.65 HTR2A (0.39) KDM4EHSD17B10

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
EP-0748821-B1 Transition metal compound TARGOR GMBH (DE) 1998-11-04 EP disclosed
EP-0868441-A2 TRANSITION METAL COMPOUND TARGOR GmbH (DE) 1998-10-07 EP disclosed
WO-1997023512-A1 TRANSITION METAL COMPOUND TARGOR GMBH (DE) 1997-07-03 WO disclosed
EP-0748821-A1 Transition metal compound HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed