SCHEMBL11658554

SCHEMBL11658554

C=CCOc1ccc(OCC2CO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 3/20 0.56
HPGD P15428 2/20 0.56
HIF1A Q16665 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 2/20 0.56
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.56
PPARG P37231 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL16641004 0.91 TDP1 (0.50) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL19901808 0.91 TDP1 (0.50) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL16640983 0.91 TDP1 (0.50) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL3105814 0.88 ALDH1A1 (0.78) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL31040472 0.85 KDM4E (0.52) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL20627617 0.85 MAPT (0.49) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL50264 0.84 TDP1 (0.79) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL20677146 0.84 TDP1 (0.79) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL21094081 0.84 TDP1 (0.79) TDP1ALDH1A1MAPTTP53TSHR
SCHEMBL7303957 0.84 ALDH1A1 (0.53) TDP1ALDH1A1MAPTTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114752128-A Preparation method of HDPE (high-density polyethylene) composite pipe material 江苏恒峰线缆有限公司 2022-07-15 CN claimed
CN-110527486-A Resistance to ultraviolet organosilicon adhesive of one kind and preparation method thereof DING AISHUN 2019-12-03 CN claimed
EP-4381001-A1 HYDROSILYLATION BASED BETA-DIKETONE PRIMERS FOR ADHESION TO METAL 3M Innovative Properties Company (US) 2024-06-12 EP disclosed
WO-2023012543-A1 HYDROSILYLATION BASED BETA-DIKETONE PRIMERS FOR ADHESION TO METAL 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-02-09 WO disclosed
CN-114752128-A Preparation method of HDPE (high-density polyethylene) composite pipe material 江苏恒峰线缆有限公司 2022-07-15 CN disclosed
CN-114752128-A Preparation method of HDPE (high-density polyethylene) composite pipe material 江苏恒峰线缆有限公司 2022-07-15 CN disclosed
CN-110384358-B Four-in-one seat 浙江农林大学暨阳学院 2022-05-13 CN disclosed
CN-110527486-A Resistance to ultraviolet organosilicon adhesive of one kind and preparation method thereof DING AISHUN 2019-12-03 CN disclosed
US-20180127537-A1 RESINS AND COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS HENKEL AG & CO. KGAA (DE) 2018-05-10 US disclosed
US-20180127537-A1 RESINS AND COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS HENKEL AG & CO. KGAA (DE) 2018-05-10 US disclosed
WO-2016099922-A2 RESINS AND COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS Henkel IP & Holding GmbH (DE) 2016-06-23 WO disclosed
US-4075208-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-4075335-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-3956335-A HYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed