SCHEMBL6178964

SCHEMBL6178964

CCCCCCO[CH]OCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 7/20 0.41
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LPAR1 Q92633 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41

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
SCHEMBL6178131 0.97 THRB (0.41) THRBTSHRMEN1HTTKMT2A
SCHEMBL27689281 0.95 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL8537817 0.92 THRB (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL1935530 0.88 ADRB2 (0.45) THRBTSHRCA1CA2
SCHEMBL27693721 0.87 THRB (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL6132365 0.83
SCHEMBL6176372 0.82 ADRB2 (0.41) THRBTSHRCA1CA2
SCHEMBL17416222 0.80 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL981959 0.80 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL262090 0.80 THRB (0.44) THRBTSHRMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1329364-C Process for producing carbonic ester ASAHI CHEMICAL CORP (JP) 2007-08-01 CN disclosed
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
CN-1608045-A Process for producing carbonic ester ASAHI KASEI CHEMICALS CORP (JP) 2005-04-20 CN disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0166389-B1 NEW TETRACYCLO COMPOUNDS, A PROCESS FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-23 EP disclosed
US-4861774-A Method of treating tumors using tetracyclo compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-29 US disclosed
US-4743555-A TETRACYCLO COMPOUND, ANTITUMOR, ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-10 US disclosed
US-4645765-A MICROBIOCIDES, ANTITUMOR AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-02-24 US disclosed
EP-0166389-A1 New tetracyclo compounds, a process for their production and a pharmaceutical composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP disclosed