SCHEMBL6285708

SCHEMBL6285708

[CH2]c1ccc(SC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
AR P10275 1/20 0.36
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21100519 0.78 SLC6A4 (0.48) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL333951 0.76 SLC6A4 (0.47) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL13923556 0.76 SLC6A4 (0.47) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL21049858 0.75 TXN (0.32)
SCHEMBL15063439 0.74 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL3046643 0.74 ALDH1A1 (0.58) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL7937564 0.74 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL2737144 0.74 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL2480563 0.74 NR1H2 (0.50) SLC6A4KDM4EHSD17B10ARALDH1A1
SCHEMBL5546729 0.74 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10ARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951918-B2 Peptidic procollagen C-proteinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-10-04 US disclosed
US-6426402-B1 RESPIRATORY SYSTEM DISORDERS; RHEUMATIC DISEASES SYNTEX (U.S.A.) LLC 2002-07-30 US disclosed
EP-0369335-B1 2-Aminodecaline derivatives and their use BASF AG (DE) 1994-02-23 EP disclosed
US-5051409-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
EP-0369335-A2 2-Aminodecaline derivatives and their use BASF Aktiengesellschaft (DE) 1990-05-23 EP disclosed