SCHEMBL4775532

SCHEMBL4775532

CC(N)C(=Cc1ccccc1O)N=Cc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL4669668 0.78 KDM4E (0.42) CA12CA2CA9KDM4ESIRT2
SCHEMBL6865789 0.78 KDM4E (0.42) CA12CA2CA9KDM4ESIRT2
SCHEMBL4669664 0.78 KDM4E (0.42) CA12CA2CA9KDM4ESIRT2
SCHEMBL28544831 0.74 ALDH1A1 (0.51) CA12CA2CA9KDM4ESIRT2
SCHEMBL1605203 0.73 CA12 (0.53) CA12CA2CA9KDM4ESIRT2
SCHEMBL30972167 0.72 ALDH1A1 (0.46) CA12CA2CA9KDM4ESIRT2
SCHEMBL11209329 0.71 CA12 (0.55) CA12CA2CA9KDM4ESIRT2
SCHEMBL16875824 0.70 CA12 (0.50) CA12CA2CA9KDM4ESIRT2
SCHEMBL16875822 0.70 CA12 (0.59) CA12CA2CA9KDM4ESIRT2
SCHEMBL30511970 0.70 CA12 (0.59) CA12CA2CA9KDM4ESIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116179246-A Methanol fuel additive and preparation method thereof 山东科信石油化工有限公司 2023-05-30 CN claimed
CN-108291161-B Associative polymers for use in streams and related compositions, methods and systems 加州理工学院 2021-05-25 CN disclosed
CN-107001644-B Associative polymers and related compositions, methods and systems 加州理工学院 2020-09-29 CN disclosed
CN-107109308-B Wash oil as anti-fouling agent in gas compressors 博里利斯股份有限公司 2020-03-27 CN disclosed
CN-110564461-A Methanol gasoline 湖北清合新能源科技有限公司 2019-12-13 CN disclosed
US-20150252277-A1 QUATERNIZED POLYETHER AMINES AND THEIR USE AS ADDITIVE FOR FUELS AND LUBRICANTS BASF SE (DE) 2015-09-10 US disclosed
US-20140034564-A1 MULTI-COMPONENT FILTER MEDIA WITH CONTROL RELEASED ADDITIVES CUMMINS FILTRATION IP, INC. (US) 2014-02-06 US disclosed
EP-1916287-A1 Conductivity improving combination of cerium oxide and detergents for diesel fuels Afton Chemical Corporation (US) 2008-04-30 EP disclosed
EP-1905813-A2 Diesel fuel additives containing cerium or manganese and detergents Afton Chemical Corporation (US) 2008-04-02 EP disclosed
CN-1138846-C Anti-knock agent for gasoline and its production process 郑英俊 2004-02-18 CN disclosed
US-4029589-A OR SWEETENING HYDROCARBONSIODINE, BROMINE PETROLITE CORPORATION (US) 1977-06-14 US disclosed