SCHEMBL1701160

SCHEMBL1701160

CCCCN(CCCC)CCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
SPHK1 Q9NYA1 1/20 0.35
KDM5A P29375 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PHF8 Q9UPP1 2/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
OPRM1 P35372 2/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL10399303 1.00 CA12 (0.37) CA12CA1CA9SPHK1KDM5A
SCHEMBL23363302 1.00 CA12 (0.37) CA12CA1CA9SPHK1KDM5A
SCHEMBL20996675 0.92 ALDH1A1 (0.39) CA12CA1CA9SPHK1KDM5A
SCHEMBL20996683 0.92 ALDH1A1 (0.33) CA12CA1CA9SPHK1KDM5A
SCHEMBL7759983 0.91 SPHK1 (0.42) CA12CA1CA9SPHK1KDM5A
SCHEMBL7754965 0.91 SPHK1 (0.42) CA12CA1CA9SPHK1KDM5A
SCHEMBL7759653 0.91 SPHK1 (0.42) CA12CA1CA9SPHK1KDM5A
SCHEMBL7759986 0.91 SPHK1 (0.42) CA12CA1CA9SPHK1KDM5A
SCHEMBL28870461 0.91 SPHK1 (0.42) CA12CA1CA9SPHK1KDM5A
SCHEMBL8398889 0.91 CA12 (0.37) CA12CA1CA9SPHK1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576476-B1 DEFOAMERS FOR HYDRATABLE CEMENTITIOUS COMPOSITIONS GCP APPLIED TECH INC (US) 2020-07-08 EP disclosed
EP-3622004-A1 ICI THICKENER COMPOSITION AND USES Elementis Specialties, Inc. (US) 2020-03-18 EP disclosed
WO-2018208383-A1 ICI THICKENER COMPOSITION AND USES ELEMENTIS SPECIALTIES, INC. (US) 2018-11-15 WO disclosed
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
EP-3041895-A1 ICI THICKENER COMPOSITION AND USES Elementis Specialties, Inc. (US) 2016-07-13 EP disclosed
CN-102892726-B Defoamers for hydratable cementitious compositions GRACE W R & CO 2015-05-06 CN disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
WO-2015034679-A1 ICI THICKENER COMPOSITION AND USES ELEMENTIS SPECIALTIES, INC. (US) 2015-03-12 WO disclosed
US-20130213272-A1 Robust Air-Detraining for Cement Milling W.R. GRACE & CO.-CONN. 2013-08-22 US disclosed
US-8460457-B2 Robust air-detraining for cement milling W. R. GRACE & CO.-CONN. (US) 2013-06-11 US disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP disclosed
CN-1309930-C Method and compound for inhibiting plugging of conduits by gas hydrates SHELL INTERNAT RES B V (NL) 2007-04-11 CN disclosed
CN-1269864-A Method and compound for inhibiting pipeline blockage by gas hydrates SHELL INT RESEARCH (NL) 2000-10-11 CN disclosed
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
EP-0519747-B1 Cement admixture and defoaming agent GRACE W R & CO (US) 1996-09-04 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed
EP-0519747-A2 Cement admixture and defoaming agent W.R. Grace & Co.-Conn. (US) 1992-12-23 EP disclosed
US-5156679-A Water soluble alkylated alkanolamine salts W. R. GRACE & CO.-CONN. (US) 1992-10-20 US disclosed