SCHEMBL8971295

SCHEMBL8971295

C=CCC=C(C)C(=O)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 4/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL325190 0.95 TSHR (0.54) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL10761848 0.93 TSHR (0.57) TSHRHPGDALDH1A1HCAR2LMNA
SCHEMBL9709320 0.93 TSHR (0.57) TSHRHPGDALDH1A1HCAR2LMNA
SCHEMBL10764193 0.89 TSHR (0.38) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL3105371 0.85 TSHR (0.42) TSHRHPGDALDH1A1HCAR2TDP1
SCHEMBL7758552 0.82 TSHR (0.44) TSHRCYP2C19CYP2D6
SCHEMBL6909255 0.82 THRB (0.35) TSHRALDH1A1CYP2C19CYP2D6
SCHEMBL7758545 0.82 TSHR (0.44) TSHRCYP2C19CYP2D6
SCHEMBL2788636 0.82 GAA (0.40) TSHRHPGDALDH1A1L3MBTL1LMNA
SCHEMBL410006 0.82 CYP2D6 (0.45) TSHRHPGDALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031818-A Organic/inorganic nano composite microsphere visual light material and application thereof 江苏视科新材料股份有限公司 2022-02-11 CN claimed
US-4690881-A Liquid developer for electrophotography RICOH CO., LTD. (JP) 1987-09-01 US claimed
CN-115594817-B Acrylic acid modified polyurethane resin for pure water-based ink and preparation method thereof 广州立诺新材料科技有限公司 2023-05-09 CN disclosed
CN-114031818-A Organic/inorganic nano composite microsphere visual light material and application thereof 江苏视科新材料股份有限公司 2022-02-11 CN disclosed
CN-114031725-A Preparation method of resin lens for correcting color vision 江苏视科新材料股份有限公司 2022-02-11 CN disclosed
CN-105694749-B Pressure-sensitive adhesive sheet for use in semiconductor production 日东电工株式会社 2020-07-24 CN disclosed
US-5523076-A ALKYL METHACRYLATE AND HYDROXYALKYL METHACRYLATE COPOLYMER CREATIVE NAIL DESIGN, INC. (US) 1996-06-04 US disclosed
US-4690881-A Liquid developer for electrophotography RICOH CO., LTD. (JP) 1987-09-01 US disclosed