SCHEMBL21838262

SCHEMBL21838262

C=Cc1ccc(OCC2CO2)c(OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GLA P06280 1/20 0.44
SLC6A4 P31645 2/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DRD4 P21917 5/20 0.41
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
ACHE P22303 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL3130116 0.93 ALDH1A1 (0.46) ALDH1A1GLADRD4TP53CYP3A4
SCHEMBL3833073 0.87 TRPA1 (0.46) ALDH1A1GLADRD4TP53CYP3A4
SCHEMBL11592704 0.85 ALDH1A1 (0.45) ALDH1A1GLASLC6A4ADRB2HTR1A
SCHEMBL11592706 0.85 ALDH1A1 (0.45) ALDH1A1GLASLC6A4ADRB2HTR1A
SCHEMBL11592641 0.85 ALDH1A1 (0.45) ALDH1A1GLASLC6A4ADRB2HTR1A
SCHEMBL13986691 0.84 ALDH1A1 (0.55) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6198028 0.83 ALDH1A1 (0.51) ALDH1A1SLC6A4ABCC4ABCB11CHRM2
SCHEMBL9615802 0.83 ALDH1A1 (0.44) ALDH1A1GLASLC6A4ADRB2HTR1A
SCHEMBL31619156 0.83 ALDH1A1 (0.51) ALDH1A1SLC6A4ABCC4ABCB11CHRM2
SCHEMBL14148260 0.83 TUBB1 (0.42) ALDH1A1GLATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636678-B1 POLY(P-HYDROXYSTYRENE) EPOXY RESIN, AND SYNTHESIS AND USE THEREOF HUBEI GURUN TECH CO LTD (CN) 2024-01-17 EP disclosed
US-20200199273-A1 POLY-P-HYDROXYSTYRENE EPOXY RESINS, SYNTHESIS AND APPLICATION THEREOF Hubei Gurun Technology Co., Ltd (CN) 2020-06-25 US disclosed
EP-3636678-A1 POLY(P-HYDROXYSTYRENE) EPOXY RESIN, AND SYNTHESIS AND USE THEREOF Hubei Gurun Technology Co., Ltd (CN) 2020-04-15 EP disclosed