SCHEMBL4698282

SCHEMBL4698282

C=CCOC(=O)C(=C)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 4/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 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
SCHEMBL3834150 0.89 TSHR (0.56) TSHRCYP3A4TDP1HPGDMAPT
SCHEMBL324970 0.87 TSHR (0.64) TSHRHPGDALDH1A1CES2CES1
SCHEMBL353021 0.85 TSHR (0.41) TSHRTDP1HPGDMEN1KMT2A
SCHEMBL6126194 0.85 TSHR (0.67) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL325188 0.85 TSHR (0.67) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL9709313 0.85 TSHR (0.67) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL468460 0.83 TSHR (0.44) TSHRCYP3A4TDP1HPGDMAPT
SCHEMBL5426290 0.82 TSHR (0.33) TSHRALDH1A1CES2CES1FFAR3
SCHEMBL4555791 0.82 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL3263975 0.82 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4690881-A Liquid developer for electrophotography RICOH CO., LTD. (JP) 1987-09-01 US claimed
EP-1417243-B1 ACRYLONITRILE-BUTADIENE-STYRENE (ABS) THERMOPLASTIC TRANSPARENT RESIN LG CHEMICAL LTD (KR) 2008-09-10 EP disclosed
US-7320854-B2 Mixture of oxide particles, polymerizable compound,radiation sensitive decomposer and releasing agent JSR CORPORATION (JP) 2008-01-22 US disclosed
US-20050239962-A1 Acrylonitrile-butadiene-styrene (ABS) thermoplastic transparent resin YOO KEUN-HOON 2005-10-27 US disclosed
US-20050107540-A1 Acrylonitrile-butadiene-styrene (abs) thermoplastic transparent resin LG CHEM, LTD. (KR) 2005-05-19 US disclosed
EP-1494072-A2 Radiation sensitive refractive index changing composition, pattern forming method and optical material JSR Corporation (JP) 2005-01-05 EP disclosed
US-20040265737-A1 Radiation sensitive refractive index changing composition, pattern forming method and optical material JSR CORPORATION (JP) 2004-12-30 US disclosed
EP-1417243-A1 ACRYLONITRILE-BUTADIENE-STYRENE (ABS) THERMOPLASTIC TRANSPARENT RESIN LG Chem, Ltd. (KR) 2004-05-12 EP disclosed
WO-2003011927-A1 ACRYLONITRILE-BUTADIENE-STYRENE (ABS) THERMOPLASTIC TRANSPARENT RESIN LG CHEM, LTD. (KR) 2003-02-13 WO disclosed
US-4690881-A Liquid developer for electrophotography RICOH CO., LTD. (JP) 1987-09-01 US disclosed