SCHEMBL8045012

SCHEMBL8045012

Cc1c(O)cccc1CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
G6PD P11413 1/20 0.50
PABPC1 P11940 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TRPA1 O75762 1/20 0.46
ATM Q13315 1/20 0.46
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
Bromide SCHEMBL9175508 0.98 HTR2A (0.49) HTR2AMAPTKDM4EHTR2CHTR2B
SCHEMBL14468315 0.84 SLC6A4 (0.46) HTR2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL28111035 0.81 KDM4E (0.58) HTR2AMAPTKDM4EHTR2CHTR2B
SCHEMBL9068633 0.81 ALDH1A1 (0.52) HTR2AMAPTKDM4EHTR2CHTR2B
SCHEMBL29354255 0.80 ALDH1A1 (0.56) HTR2AMAPTKDM4EHTR2CHTR2B
SCHEMBL116610 0.80 ALDH1A1 (0.56) HTR2AMAPTKDM4EHTR2CHTR2B
SCHEMBL28891187 0.80 MAPT (0.53) HTR2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL22100512 0.80 TRPA1 (0.39) HTR2AMAPTHTR2CHTR2BGAA
SCHEMBL29368415 0.79 HTR2A (0.50) HTR2AMAPTKDM4EHTR2CHTR2B
SCHEMBL796968 0.79 HTR2A (0.50) HTR2AMAPTKDM4EHTR2CHTR2B

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
EP-0042617-B1 PROCESS FOR THE PRODUCTION OF SHAPED ARTICLES AND COATINGS HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 EP claimed
CN-111154133-B Epoxy resin foaming agent, epoxy resin composition and preparation method and application of epoxy foaming material 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-111154133-A Epoxy resin foaming agent, epoxy resin composition and preparation method and application of epoxy foaming material 万华化学集团股份有限公司 2020-05-15 CN disclosed
CN-105121480-B Composition with the pH response polymers containing MAEP and/or MAHP and use its method 罗地亚经营管理公司 2018-01-09 CN disclosed
CN-105121480-A Compositions with pH responsive copolymer containing MAEP and/or MAHP and methods for using same RHODIA OPERATIONS 2015-12-02 CN disclosed
EP-0663001-B1 FUEL ADDITIVES ASS OCTEL (GB) 2000-05-17 EP disclosed
US-5593464-A POLLUTION CONTROL THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1997-01-14 US disclosed
CN-1113087-A Fuel additives ASS OCTEL (GB) 1995-12-06 CN disclosed
EP-0663001-A1 FUEL ADDITIVES THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1995-07-19 EP disclosed
WO-1995004119-A1 FUEL ADDITIVES THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1995-02-09 WO disclosed
US-4399268-A POLYEPOXIDE, SUBSTITUTED AMINOPHENOL HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed