SCHEMBL7459871

SCHEMBL7459871

CC(=O)Oc1cc(CN2C(=O)CSC2=O)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RXRA P19793 7/20 0.41
RXRG P48443 2/20 0.41
RXRB P28702 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
KMT2A Q03164 1/20 0.36
RARA P10276 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7468575 0.89 KMT2A (0.46) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL7457132 0.87 GSK3A (0.41) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL7460353 0.86 GSK3A (0.48) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL7463463 0.86 GSK3A (0.40) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL7463442 0.85 ALDH1A1 (0.46) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL7459610 0.85 KCNN4 (0.43) ALDH1A1RXRAGSK3AGSK3BPOLB
SCHEMBL7464315 0.83 GSK3A (0.45) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL7461494 0.83 ALDH1A1 (0.43) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL5485145 0.82 RXRA (0.46) ALDH1A1RXRARXRGRXRBGSK3A
SCHEMBL7461714 0.82 GSK3A (0.44) ALDH1A1RXRARXRGRXRBGSK3A

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
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP claimed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO claimed
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO disclosed