SCHEMBL28814537

SCHEMBL28814537

CCCCCCCCc1csc(CCCCCCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.48
PTGS2 P35354 4/20 0.47
CYP3A4 P08684 2/20 0.44
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42
HSPE1 P61604 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL28232953 1.00 LTB4R (0.48) LTB4RPTGS2CYP3A4ESR1ADRA2A
SCHEMBL8564302 1.00 LTB4R (0.48) LTB4RPTGS2CYP3A4ESR1ADRA2A
SCHEMBL17707867 0.98 LTB4R (0.45) LTB4RPTGS2CYP3A4ESR1ADRA2A
SCHEMBL18067897 0.90 PTGS2 (0.46) LTB4RPTGS2CYP3A4ESR1ADRA2A
SCHEMBL25689016 0.89 HTR2A (0.46) LTB4RPTGS2CYP3A4HTR2A
SCHEMBL21953264 0.88 PTGS2 (0.39) LTB4RPTGS2CYP3A4ESR1ADRA2A
SCHEMBL21953506 0.88 PTGS2 (0.44) LTB4RPTGS2CYP3A4ESR1ADRA2A
SCHEMBL28208366 0.87 PTGS2 (0.39) LTB4RPTGS2CYP3A4ESR1ADRA2A
SCHEMBL17146469 0.83 GPR84 (0.47) LTB4RPTGS2CYP3A4ALDH1A1
SCHEMBL27953944 0.83 GPR84 (0.47) LTB4RPTGS2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119174013-A Transferable photovoltaic device 联邦科学和工业研究组织 2024-12-20 CN disclosed
CN-104086752-A Benzodithiophene polymer, its preparation method, semiconductor composition containing it, and solar cell using it CHINA HUANENG GROUP CLEANING ENERGY TECHNOLOGY RES INST CO LTD 2014-10-08 CN disclosed