SCHEMBL28225513

SCHEMBL28225513

c1ccc2c(c1)-c1ccccc1C2C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PRCP P42785 1/20 0.39
PARP1 P09874 1/20 0.39
HTR2A P28223 3/20 0.38
GPR3 P46089 1/20 0.38
NOS2 P35228 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL8416138 0.98 BCHE (0.52) BCHEACHEIDO1TDO2CYP1A2
SCHEMBL23704622 0.98 BCHE (0.52) BCHEACHEIDO1TDO2CYP1A2
SCHEMBL28142477 0.95 BCHE (0.44) BCHEACHEIDO1TDO2CYP1A2
SCHEMBL28946001 0.84 SLC18A3 (0.44) BCHEACHEIDO1TDO2CYP1A2
SCHEMBL29988938 0.82 ALDH1A1 (0.41) BCHEACHEIDO1TDO2PRCP
SCHEMBL11391882 0.80 HTR2C (0.46) HTR2C
SCHEMBL30567955 0.80 HTR2C (0.46) HTR2C
SCHEMBL8416176 0.78 IDO1 (0.38) BCHEACHEIDO1TDO2PRCP
SCHEMBL8413706 0.78 BCHE (0.40) BCHEACHEIDO1TDO2CYP1A2
SCHEMBL28650403 0.78 ACHE (0.36) BCHEACHEIDO1TDO2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636889-B Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2024-03-01 CN claimed
CN-115636889-A Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2023-01-24 CN claimed
CN-105859924-B A kind of sub- training alkene process catalyst and its preparation 亚培烯科技(杭州)有限公司 2018-07-13 CN claimed
CN-115636889-B Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2024-03-01 CN disclosed
CN-115636889-A Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2023-01-24 CN disclosed
CN-105859924-B A kind of sub- training alkene process catalyst and its preparation 亚培烯科技(杭州)有限公司 2018-07-13 CN disclosed