SCHEMBL8370925

SCHEMBL8370925

CC[N+]1(CC(=O)[O-])CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.30
PABPC1 P11940 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL19368009 0.82 ALDH1A1 (0.31) MEN1ALDH1A1KMT2AUSP2PABPC1
SCHEMBL6545644 0.82 CYP1A2 (0.34) MEN1ALDH1A1KMT2AUSP2PABPC1
SCHEMBL740600 0.79 CHRM2 (0.34) CTDSP1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4192099 0.78 MEN1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL21821300 0.76 TSHR (0.42) ALDH1A1KMT2ACYP1A2CTDSP1
SCHEMBL739514 0.75 PABPC1 (0.45) ALDH1A1KMT2AUSP2PABPC1CYP1A2
SCHEMBL575287 0.75 CHRNA7 (0.37) CTDSP1
Bromide SCHEMBL17338086 0.74 SMN1; SMN2 (0.43) ALDH1A1KMT2ACYP1A2CTDSP1
Iodide SCHEMBL9011443 0.73 CTDSP1 (0.36) CTDSP1
Bromide SCHEMBL19439575 0.73 CHRNA7 (0.35) CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315683-B1 DNA SEQUENCES, RECOMBINANT DNA MOLECULES AND PROCESSES FOR PRODUCING LYMPHOCYTE FUNCTION ASSOCIATED ANTIGEN-3 BIOGEN INC (US) 1999-02-03 EP disclosed
US-5395921-A Taste enhancer, polypeptide YOSHIE KURIHARA (JP) 1995-03-07 US disclosed
EP-0613498-A1 RECEPTOR DERIVATES WITH BINDING SITES FOR HUMAN RHINOVIRUSES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1994-09-07 EP disclosed
WO-1994001553-A1 RECEPTOR DERIVATES WITH BINDING SITES FOR HUMAN RHINOVIRUSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1994-01-20 WO disclosed
EP-0458903-A4 SOLUBLE ANALOGS OF THROMBOMODULIN 1992-06-17 EP disclosed
EP-0458903-A1 SOLUBLE ANALOGS OF THROMBOMODULIN CODON (US) 1991-12-04 EP disclosed
US-4956281-A Polypeptides, codes, binding, genetic engineering BIOGEN, INC. (US) 1990-09-11 US disclosed
WO-1990010081-A1 SOLUBLE ANALOGS OF THROMBOMODULIN CODON (US) 1990-09-07 WO disclosed
US-4913812-A GLYCIDYL VINYL(ETHER OR ESTER)COPOLYMER BONDED TO LIGAND SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-04-03 US disclosed
EP-0315683-A4 DNA SEQUENCES, RECOMBINANT DNA MOLECULES AND PROCESSES FOR PRODUCING LYMPHOCYTE FUNCTION ASSOCIATED ANTIGEN-3. BIOGEN NV (NL) 1990-02-05 EP disclosed
EP-0315683-A1 DNA SEQUENCES, RECOMBINANT DNA MOLECULES AND PROCESSES FOR PRODUCING LYMPHOCYTE FUNCTION ASSOCIATED ANTIGEN-3 BIOGEN, INC. (US) 1989-05-17 EP disclosed
WO-1988009820-A1 DNA SEQUENCES, RECOMBINANT DNA MOLECULES AND PROCESSES FOR PRODUCING LYMPHOCYTE FUNCTION ASSOCIATED ANTIGEN-3 BIOGEN N.V. (AN) 1988-12-15 WO disclosed
US-4315074-A RESIN PEPTIDES FOR SYNTHESIZING POLYPEPTIDES PIERCE CHEMICAL COMPANY (US) 1982-02-09 US disclosed
US-4182654-A SOLID PHASE SYNTHESIS PIERCE CHEMICAL COMPANY (US) 1980-01-08 US disclosed
US-4096291-A HYDROXYL COMPOUNDS AND BLOCKED POLYISOCYANATES; CROSSLINKING BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed