SCHEMBL7081071

SCHEMBL7081071

CC(C)=C1C=CC=C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B3 P37058 1/20 0.31
BACE1 P56817 1/20 0.30
MAPK1 P28482 2/20 0.30
CYP1A2 P05177 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MMP3 P08254 1/20 0.30
BCL2L1 Q07817 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
SCHEMBL27626616 0.67 MAOA (0.56) MAPTSMN1; SMN2MAOAMAOBALDH1A1
SCHEMBL21539403 0.66
SCHEMBL1879526 0.65 MAOA (0.48) MAPTMAOAMAOBALDH1A1HSD17B3
SCHEMBL10525293 0.62 MAOA (0.50) MAPTSMN1; SMN2MAOAMAOBALDH1A1
Biphenyl SCHEMBL28097179 0.62 ALDH1A1 (0.69) MAPTSMN1; SMN2ALDH1A1BACE1MAPK1
Biphenyl SCHEMBL27463778 0.61 SMN1; SMN2 (0.64) MAPTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL26118035 0.61 ALDH1A1 (0.47) MAPTMAOAMAOBALDH1A1BACE1
Biphenyl SCHEMBL27303985 0.59 SMN1; SMN2 (0.61) MAPTSMN1; SMN2ALDH1A1MAPK1NPC1
Biphenyl SCHEMBL2901532 0.59 SMN1; SMN2 (0.61) MAPTSMN1; SMN2ALDH1A1CYP1A2KDM4E
SCHEMBL5531506 0.59 BACE1 (0.64) MAPTMAOAMAOBALDH1A1HSD17B3

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-0984973-B1 STEREORIGID METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2003-07-23 EP disclosed
US-6410661-B1 POLYMERIZATION CATALYST BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed
EP-0984973-A1 STEREORIGID METALLOCENE COMPOUNDS Basell Polyolefine GmbH (DE) 2000-03-15 EP disclosed
WO-1998050395-A1 STEREORIGID METALLOCENE COMPOUNDS TARGOR GMBH (DE) 1998-11-12 WO disclosed