SCHEMBL20004970

SCHEMBL20004970

CCc1ccc(C(C)(C)C(=O)O)cc1S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
LTB4R Q15722 5/20 0.39
LTB4R2 Q9NPC1 5/20 0.39
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 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
SCHEMBL8848023 0.84 APP (0.44) APPAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL20004834 0.82 EPHX2 (0.43) APPAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL29660078 0.79 APP (0.41) APPAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL897783 0.79 APP (0.41) APPAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL28160438 0.77 AKR1C3 (0.46) APPAKR1C3AKR1C2TLR7
SCHEMBL24021249 0.73 TLR7 (0.51) AKR1C3AKR1C2TLR7
SCHEMBL3497043 0.72 MAPT (0.52) APPAKR1C3AKR1C2CYP2C9KMT2A
SCHEMBL127737 0.72 ALDH1A1 (0.52) SLC22A12MEN1KMT2A
SCHEMBL129672 0.71 CYP2C19 (0.53) APPLTB4RLTB4R2CYP1A2KMT2A
SCHEMBL27986171 0.71 MAPT (0.43) APPAKR1C3AKR1C2LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed