SCHEMBL28706

SCHEMBL28706

NCCCCCCOP(=O)(OCCCCCCN)OCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
BLM P54132 2/20 0.42
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 3/20 0.38
LPAR1 Q92633 2/20 0.38

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
SCHEMBL11301547 1.00 CYP3A4 (0.50) CYP3A4CA12CA1CA2CA3
SCHEMBL481712 1.00 CYP3A4 (0.50) CYP3A4CA12CA1CA2CA3
SCHEMBL29395 0.89 CYP3A4 (0.55) CYP3A4TSHRLMNABLMALDH1A1
Octadecylamine SCHEMBL31542019 0.89 CYP3A4 (0.64) CYP3A4TSHRDNM1ALDH1A1LPAR3
SCHEMBL6953430 0.89 TSHR (0.54) CYP3A4TSHRDNM1ALDH1A1LPAR3
SCHEMBL16187636 0.86 TSHR (0.56) CYP3A4CA12CA1CA2CA9
SCHEMBL20738949 0.86 CYP3A4 (0.43) CYP3A4CA12CA1CA2CA3
Hydrochloric Acid SCHEMBL15619458 0.84 TSHR (0.54) CYP3A4TSHRLMNABLMDNM1
SCHEMBL6712517 0.82 CA12 (0.40) CYP3A4CA12CA1CA2CA3
SCHEMBL23631720 0.80 ITPR3 (0.47) CYP3A4CA12CA1CA2CA3

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

Appears in 2579 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895607-B1 DOUBLE-STRANDED OLIGONUCLEOTIDE MOLECULES TO DDIT4 AND METHODS OF USE THEREOF QUARK PHARMACEUTICALS INC (US) 2021-05-05 EP claimed
CN-106701758-B Modulation of HSP47 expression 日东电工株式会社 2020-02-07 CN claimed
EP-3434773-A2 MODULATION OF HSP47 EXPRESSION NITTO DENKO CORPORATION (JP) 2019-01-30 EP claimed
US-10093923-B2 Modulation of HSP47 expression NITTO DENKO CORPORATION (JP) 2018-10-09 US claimed
US-9611474-B2 Double-stranded oligonucleotide molecules to DDIT4 and methods of use thereof QUARK PHARMACEUTICALS, INC. (US) 2017-04-04 US claimed
US-9328347-B2 siRNA useful in the treatment of flavivirus infection OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-05-03 US claimed
EP-3012324-A2 MODULATION OF HSP47 EXPRESSION Nitto Denko Corporation (JP) 2016-04-27 EP claimed
US-20160108399-A1 MODULATION OF HSP47 EXPRESSION NITTO DENKO CORPORATION (JP) 2016-04-21 US claimed
US-9206424-B2 Modulation of HSP47 expression NITTO DENKO CORPORATION (JP) 2015-12-08 US claimed
EP-2509991-B1 MODULATION OF HSP47 EXPRESSION NITTO DENKO CORP (JP) 2015-11-11 EP claimed
EP-1115859-A2 HAIRPIN HYBRIDIZER MOLECULES FOR MODULATION OF GENE EXPRESSION RIBOZYME PHARMACEUTICALS, INC. (US) 2001-07-18 EP claimed
EP-1108724-A2 Synthesis of methoxy nucleosides and enzymatic nucleic acid molecules RIBOZYME PHARMACEUTICALS, INC. (US) 2001-06-20 EP claimed
EP-1098969-A2 USE OF NUCLEIC ACID MOLECULES AS ANTIVIRAL AGENTS RIBOZYME PHARMACEUTICALS, INC. (US) 2001-05-16 EP claimed
EP-1071753-A2 NUCLEIC ACID MOLECULES WITH NOVEL CHEMICAL COMPOSITIONS CAPABLE OF MODULATING GENE EXPRESSION RIBOZYME PHARMACEUTICALS, INC. (US) 2001-01-31 EP claimed
WO-2000017346-A2 HAIRPIN HYBRIDIZER MOLECULES FOR MODULATION OF GENE EXPRESSION RIBOZYME PHARMACEUTICALS, INC. (US) 2000-03-30 WO claimed
WO-2000004141-A2 USE OF NUCLEIC ACID MOLECULES AS ANTIVIRAL AGENTS RIBOZYME PHARMACEUTICALS, INC. (US) 2000-01-27 WO claimed
US-5998203-A PARTICULARLY USEFUL FOR ENZYMATIC CLEAVAGE OF RNA OR SINGLE-STRANDED DNA. RIBOZYME PHARMACEUTICALS, INC. (US) 1999-12-07 US claimed
WO-1999054459-A2 NUCLEIC ACID MOLECULES WITH NOVEL CHEMICAL COMPOSITIONS CAPABLE OF MODULATING GENE EXPRESSION RIBOZYME PHARMACEUTICALS, INC. (US) 1999-10-28 WO claimed
EP-0886641-A2 SYNTHESIS OF METHOXY NUCLEOSIDES AND ENZYMATIC NUCLEIC ACID MOLECULES RIBOZYME PHARMACEUTICALS, INC. (US) 1998-12-30 EP claimed
WO-1997026270-A2 SYNTHESIS OF METHOXY NUCLEOSIDES AND ENZYMATIC NUCLEIC ACID MOLECULES RIBOZYME PHARMACEUTICALS, INC. (US) 1997-07-24 WO claimed