SCHEMBL9527481

SCHEMBL9527481

CCCCCCN(CCCCCC)c1ccc(N=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.49
SLC16A1 P53985 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 2/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
PTGS2 P35354 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14573749 0.86 SLC16A3 (0.40) SLC16A3SLC16A1L3MBTL1ALDH1A1CNR2
SCHEMBL29914670 0.84 ALDH1A1 (0.59) L3MBTL1ALDH1A1GAA
SCHEMBL11188554 0.84 ALDH1A1 (0.59) L3MBTL1ALDH1A1GAA
Hydrochloric Acid SCHEMBL11766454 0.82 ALDH1A1 (0.58) L3MBTL1ALDH1A1GAA
SCHEMBL1577124 0.82 SLC16A3 (0.52) SLC16A3SLC16A1L3MBTL1ALDH1A1
SCHEMBL13979767 0.81 SLC16A3 (0.42) SLC16A3SLC16A1L3MBTL1ALDH1A1CNR2
SCHEMBL23611530 0.81 ALDH1A1 (0.43) SLC16A3SLC16A1L3MBTL1ALDH1A1GAA
SCHEMBL30817926 0.81 ALDH1A1 (0.43) SLC16A3SLC16A1L3MBTL1ALDH1A1GAA
SCHEMBL179136 0.81 ALDH1A1 (0.43) SLC16A3SLC16A1L3MBTL1ALDH1A1GAA
SCHEMBL29752123 0.81 ALDH1A1 (0.43) SLC16A3SLC16A1L3MBTL1ALDH1A1GAA

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-0291853-B1 THIENON COMPOUNDS BASF Aktiengesellschaft (DE) 1993-07-28 EP disclosed
US-4908437-A Thien-2-one compounds with an alkylidene or imino group in the 5-position of the ring BASF AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed
EP-0291853-A2 Thienon compounds BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed