SCHEMBL8862476

SCHEMBL8862476

[CH2]c1cc(OC(C)(C)C)c(O)c(OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.35
▸ SMPD3 Q9NY59 1/20 0.33
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 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
SCHEMBL31376345 0.79 ERBB2 (0.36) ERBB2SMPD3CA1CA2
SCHEMBL8405188 0.77 ALOX15 (0.46) ERBB2SMPD3CA1CA2
SCHEMBL153766 0.73 PKM (0.52) CA1CA2
SCHEMBL15915347 0.73 — —
SCHEMBL5008996 0.71 ALDH1A1 (0.44) SMPD3CA1CA2
SCHEMBL16883924 0.70 ALOX15 (0.38) ERBB2
SCHEMBL9585944 0.70 ERBB2 (0.33) ERBB2
SCHEMBL13449768 0.68 KCNH2 (0.32) —
SCHEMBL15915111 0.68 CA2 (0.39) CA1CA2
SCHEMBL9217439 0.68 MAOB (0.41) ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 — — US claimed
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 — — US disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 — — US disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 — — EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 — — WO disclosed
EP-0237027-B1 6-(DISUBSTITUTED AMINO) CARBAPENAM COMPOUNDS Sanraku Incorporated (JP) 1992-06-10 — — EP disclosed
US-5021566-A Carbapenicillins; preservatives; antiseptics; grampositive and gram negative bacteria MERCK & CO. INC. (US) 1991-06-04 — — US disclosed
US-4996314-A 6-(disubstituted amino)carbapenem compounds SANRAKU INCORPORATED (JP) 1991-02-26 — — US disclosed
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 — — US disclosed
US-4812563-A ANTIBIOTICS SANRAKU INCORPORATED (JP) 1989-03-14 — — US disclosed
US-4235920-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-25 — — US disclosed
US-4232030-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-04 — — US disclosed
US-4226870-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1980-10-07 — — US disclosed
US-4226866-A BACTERICIDES, ACYLATION MERCK & CO., INC. (US) 1980-10-07 — — US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 — — US disclosed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 — — US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 — — US disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 — — US disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 — — EP disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 — — EP disclosed
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