SCHEMBL5889400

SCHEMBL5889400

C=C(CCS)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.48
MAOB P27338 6/20 0.48
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
EGFR P00533 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7990104 0.85 MAOA (0.56) MAOAMAOBMAPTPOLBLMNA
SCHEMBL809311 0.80 MAOA (0.52) MAOAMAOBMAPTPOLBLMNA
SCHEMBL7984999 0.80 MAOA (0.52) MAOAMAOBMAPTPOLBLMNA
SCHEMBL7986401 0.80 MAOA (0.52) MAOAMAOBMAPTPOLBLMNA
SCHEMBL1005574 0.78 MAOA (0.50) MAOAMAOBMAPTPOLBLMNA
SCHEMBL7217517 0.78 L3MBTL1 (0.54) MAOAMAOBMAPTLMNATDP1
SCHEMBL1536703 0.78 MAOA (0.56) MAOAMAOBMAPTPOLBLMNA
SCHEMBL952229 0.78 MAOA (0.50) MAOAMAOBMAPTPOLBLMNA
SCHEMBL810101 0.76 MAOA (0.48) MAOAMAOBMAPTPOLBLMNA
SCHEMBL2064112 0.76 MAOA (0.48) MAOAMAOBMAPTPOLBLMNA

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
US-7026372-B2 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-04-11 US disclosed
US-20050154073-A1 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof ISHII KENJI (JP) 2005-07-14 US disclosed
US-6872333-B2 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof MITSUBISHI GAS CHEMICAL COMPANY, LTD. (JP) 2005-03-29 US disclosed
US-20030195270-A1 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof ISHII KENJI (JP) 2003-10-16 US disclosed