SCHEMBL3433778

SCHEMBL3433778

C1=C(CCCCC2=Cc3cccc4cccc(c34)C2)Cc2cccc3cccc1c23

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL29137337 0.93 CYP3A4 (0.48) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL28736811 0.92 CYP3A4 (0.39) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL28412778 0.91 KCNH2 (0.40) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL28759275 0.90 CYP3A4 (0.40) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL11012345 0.82 CYP3A4 (0.45) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL26692285 0.78 CYP3A4 (0.41) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL7566441 0.77 HTR1A (0.53) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL28299144 0.76 SLC6A2 (0.40) CYP3A4ALDH1A1KDM4EHTR2AACHE
SCHEMBL28144591 0.76 SLC6A2 (0.40) CYP3A4ALDH1A1KDM4EHTR2AACHE
SCHEMBL737837 0.75 HTR1A (0.54) HTR1AHTR2AHTR7DRD3HTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222454-A1 DEGRADATION ACCELERATOR FOR POLYMERS AND POLYMER ARTICLE COMPRISING IT CIBA CORPORATION (US) 2010-09-02 US disclosed
EP-2176210-A1 DEGRADATION ACCELERATOR FOR POLYMERS AND POLYMER ARTICLE COMPRISING IT BASF SE (DE) 2010-04-21 EP disclosed
WO-2009016083-A1 DEGRADATION ACCELERATOR FOR POLYMERS AND POLYMER ARTICLE COMPRISING IT BASF SE (CH) 2009-02-05 WO disclosed