SCHEMBL6161219

SCHEMBL6161219

CCCCCCOC1(OCCCCCC)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
THRB P10828 2/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DNM1 Q05193 3/20 0.35
LPAR3 Q9UBY5 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 5/20 0.34
LPAR2 Q9HBW0 4/20 0.34
LPAR1 Q92633 2/20 0.34
NAAA Q02083 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL4775373 0.98 TSHR (0.35) TSHRTHRBMEN1HTTKMT2A
SCHEMBL4781283 0.98 TSHR (0.35) TSHRTHRBMEN1HTTKMT2A
SCHEMBL4780035 0.98 TSHR (0.35) TSHRTHRBMEN1HTTKMT2A
SCHEMBL4778272 0.95 ALDH1A1 (0.31) TSHRTHRBMEN1HTTKMT2A
SCHEMBL6160914 0.91 ADRB2 (0.36) TSHRMEN1KMT2AALDH1A1CA1
SCHEMBL14778543 0.88 MEN1 (0.35) TSHRTHRBMEN1KMT2AALDH1A1
SCHEMBL14780056 0.88 MEN1 (0.35) TSHRTHRBMEN1KMT2AALDH1A1
SCHEMBL6161200 0.88 MEN1 (0.35) TSHRTHRBMEN1KMT2AALDH1A1
SCHEMBL6160537 0.88 MEN1 (0.35) TSHRTHRBMEN1KMT2AALDH1A1
SCHEMBL14778086 0.88 MEN1 (0.35) TSHRTHRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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