SCHEMBL7463442

SCHEMBL7463442

Cc1cc2c(cc1-c1ccc(CN3C(=O)CSC3=O)cc1O)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
POLB P06746 1/20 0.44
RXRA P19793 6/20 0.43
RXRG P48443 2/20 0.43
RXRB P28702 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
PPARG P37231 1/20 0.37
RARA P10276 1/20 0.36
GFER P55789 1/20 0.35
TP53 P04637 1/20 0.35
PIM1 P11309 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KCNN4 O15554 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
SCHEMBL5485145 0.93 RXRA (0.46) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7460353 0.92 GSK3A (0.48) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7464315 0.89 GSK3A (0.45) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7464561 0.88 GSK3A (0.47) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7461714 0.88 GSK3A (0.44) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7461494 0.87 ALDH1A1 (0.43) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL5491235 0.87 GSK3A (0.42) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7468575 0.87 KMT2A (0.46) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7466516 0.87 GSK3A (0.43) ALDH1A1GSK3AGSK3BPOLBRXRA
SCHEMBL7466491 0.86 POLB (0.43) ALDH1A1GSK3AGSK3BPOLBRXRA

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 2 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 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