SCHEMBL6160537

SCHEMBL6160537

CCCCOC1(OCCCC)CCCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
SLC6A5 Q9Y345 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
SLC6A4 P31645 2/20 0.31
OPRM1 P35372 2/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SLC6A2 P23975 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
CYP1A2 P05177 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
SCHEMBL14777998 1.00 MEN1 (0.35) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL6160066 1.00 MEN1 (0.35) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL6161200 1.00 MEN1 (0.35) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL14780056 1.00 MEN1 (0.35) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL14778086 1.00 MEN1 (0.35) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL14778543 1.00 MEN1 (0.35) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL6160914 0.98 ADRB2 (0.36) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL4778272 0.93 ALDH1A1 (0.31) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL4781283 0.91 TSHR (0.35) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL4775373 0.91 TSHR (0.35) MEN1KMT2ATSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed