SCHEMBL6606014

SCHEMBL6606014

[CH](Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.45
KCNA3 P22001 1/20 0.41
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SRC P12931 1/20 0.36
PARP10 Q53GL7 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28369275 0.97 LTA4H (0.47) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL1543834 0.83 CA4 (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL712888 0.83 CA4 (0.39) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL16782647 0.80 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL2818335 0.80 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL2818333 0.80 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6002697 0.77 LTA4H (0.43) LTA4HTSHRCA4KCNA3ALDH1A1
SCHEMBL7057721 0.77 CA4 (0.39) LTA4HTSHRCA4KCNA3MAOA
SCHEMBL4635903 0.77 TSHR (0.36) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL2950482 0.77 LTA4H (0.36) LTA4HTSHRCA4KCNA3CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
CN-104876905-A Phenoxy phenoxymethyl structure-containing 1,3-dioxolane compound preparation method SHANGHAI SHENGHUA CHEMICAL SCIENCE & TECHNOLOGY CO LTD 2015-09-02 CN disclosed
CN-104876905-A Phenoxy phenoxymethyl structure-containing 1,3-dioxolane compound preparation method SHANGHAI SHENGHUA CHEMICAL SCIENCE & TECHNOLOGY CO LTD 2015-09-02 CN disclosed
EP-0877736-B1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMA CO LTD (JP) 2004-04-21 EP disclosed
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 EP disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 WO disclosed
EP-0229384-B1 Beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1994-08-10 EP disclosed
EP-0353674-B1 Phenoxyalkyl-substituted heteroaromates, process for their preparation and their use in combating pests BASF AG (DE) 1994-04-27 EP disclosed
US-4123528-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-10-31 US disclosed
US-4101323-A Radiation-sensitive copying composition HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US disclosed
US-4071529-A Derivatives of 6-aminopenicillanic acid MERCK & CO., INC. (US) 1978-01-31 US disclosed
US-4064344-A ANTIBIOTIC MERCK & CO., INC. (US) 1977-12-20 US disclosed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4035359-A 6α, β-Substituted penicillin derivatives MERCK & CO., INC. (US) 1977-07-12 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 US disclosed