SCHEMBL10896158

SCHEMBL10896158

CCCCCOc1ccc(C(O)C#N)cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL11150174 0.91 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL10899758 0.85 ALDH1A1 (0.43) ALDH1A1HPGDS1PR2S1PR1S1PR3
SCHEMBL10924599 0.77 TSHR (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6055497 0.76 PDE4D (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL24866002 0.75 SMPD1 (0.41) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL30867116 0.75 SMPD1 (0.41) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL9250450 0.74 SMPD1 (0.43) ALDH1A1HPGDS1PR3CHUKDAPK3
SCHEMBL14976645 0.74 ALDH1A1 (0.50) ALDH1A1HPGDS1PR1SMN1; SMN2MEN1
SCHEMBL7354913 0.73 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL11157473 0.73 ALDH1A1 (0.49) ALDH1A1HPGDS1PR1SMN1; SMN2MEN1

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
US-4602026-A 5-(3-ETHOXY-4-PENTYLOXYPHENYL)-2,4-THIAZOLIDINEDIONE SENJU PHARMACEUTICAL CO., LTD. (JP) 1986-07-22 US disclosed
US-4387101-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-06-07 US disclosed
EP-0033617-A2 Thiazolidine derivatives and their production and medicinal compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-08-12 EP disclosed