SCHEMBL3078714

SCHEMBL3078714

O=C(CCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.68
MAPT P10636 2/20 0.68
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
GPR84 Q9NQS5 2/20 0.63
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HSD11B1 P28845 2/20 0.57
DPP4 P27487 1/20 0.56
HPGD P15428 1/20 0.55
PDPK1 O15530 1/20 0.55
PLAAT3 P53816 2/20 0.54
PLAAT5 Q96KN8 2/20 0.54
PLAAT2 Q9NWW9 2/20 0.54

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
SCHEMBL659686 0.93 PDPK1 (0.64) L3MBTL1MAPTNPC1RAB9AGPR84
SCHEMBL11123550 0.90 GPR84 (0.59) L3MBTL1MAPTNPC1RAB9AGPR84
SCHEMBL656028 0.90 FFAR1 (0.59) L3MBTL1MAPTNPC1RAB9AGPR84
SCHEMBL15524969 0.86 TDP1 (0.77) L3MBTL1MAPTNPC1RAB9ACASP3
SCHEMBL30572 0.86 TDP1 (0.77) L3MBTL1MAPTNPC1RAB9ACASP3
SCHEMBL28251466 0.86 TDP1 (0.77) L3MBTL1MAPTNPC1RAB9ACASP3
SCHEMBL28372673 0.84 L3MBTL1 (0.72) L3MBTL1MAPTNPC1RAB9ATDP1
Hydrochloric Acid SCHEMBL27556767 0.84 TDP1 (0.74) L3MBTL1MAPTNPC1RAB9ACASP3
SCHEMBL11431321 0.84 NPC1 (0.69) L3MBTL1MAPTNPC1RAB9AGPR84
SCHEMBL7754574 0.83 NPC1 (0.67) L3MBTL1MAPTNPC1RAB9ACASP3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP claimed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO claimed
CN-111499503-B Method for synthesizing alpha-alkylated ketone in water 南京理工大学 2022-04-08 CN disclosed
CN-112371193-B Hydrotalcite-loaded gold-nickel catalyst, and preparation method and application thereof 江南大学 2021-12-21 CN disclosed
CN-111974457-B Catalyst for synthesizing substituted ketone compound and preparation method thereof 江南大学 2021-05-28 CN disclosed
CN-112371193-A Hydrotalcite-loaded gold-nickel catalyst, and preparation method and application thereof 江南大学 2021-02-19 CN disclosed
CN-111974457-A Catalyst for synthesizing substituted ketone compound and preparation method thereof 江南大学 2020-11-24 CN disclosed
CN-111499503-A Method for synthesizing α -alkylated ketone in water 南京理工大学 2020-08-07 CN disclosed
CN-106478395-B A kind of method of iridium catalyzed synthesizing alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-106478325-B A method of synthesis alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-105439787-B Method for synthesizing α -alkyl ketone 南京理工大学 2018-02-13 CN disclosed
US-7795166-B2 Functional group-selective hydrogenation catalyst and functional group-selective hydrogenation method N.E. CHEMCAT CORPORATION (JP) 2010-09-14 US disclosed
US-20070155617-A1 FUNCTIONAL GROUP-SELECTIVE HYDROGENATION CATALYST AND FUNCTIONAL GROUP-SELECTIVE HYDROGENATION METHOD N. E. CHEMCAT CORPORATION (JP) 2007-07-05 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-0236913-A2 Aryl-azolylmethyl-benzocyclo-alkene derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-16 EP disclosed
EP-0098629-B1 ANTI-COAGULANTS OF THE 4-HYDROXYCOUMARIN TYPE, THE PREPARATION THEREOF, AND RODENTICIDAL COMPOSITIONS (BAITS) COMPRISING SUCH ANTI-COAGULANTS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-08-26 EP disclosed
US-4520007-A Anti-coagulants of the 4-hydroxycoumarin type and rodenticidal compositions (baits) comprising such anti-coagulants SHELL OIL COMPANY (US) 1985-05-28 US disclosed
EP-0098629-A1 Anti-coagulants of the 4-hydroxycoumarin type, the preparation thereof, and rodenticidal compositions (baits) comprising such anti-coagulants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-01-18 EP disclosed