SCHEMBL23544179

SCHEMBL23544179

CC(O)C(C)(C)Oc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.55
PPARG P37231 5/20 0.51
PPARA Q07869 3/20 0.49
FABP2 P12104 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
ABCB1 P08183 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRB3 P13945 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CNR1 P21554 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL11663267 0.82 LMNA (0.45) PPARGLMNACYP3A4ADRB3TSHR
SCHEMBL5281549 0.81 ELANE (0.64) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL19775908 0.80 ELANE (0.51) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL11441192 0.78 PPARG (0.76) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL5308495 0.77 ELANE (0.55) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL22221536 0.77 PPARG (0.77) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL22295633 0.77 SRD5A2 (0.61) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL27607343 0.77 ELANE (0.58) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL23369312 0.77 SRD5A2 (0.61) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL6046950 0.76 ELANE (0.62) ELANEABCB1LMNAHPGDKMT2A

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-3271323-B1 UV CURABLE HOT MELT PRESSURE SENSITIVE ADHESIVES Henkel IP & Holding GmbH (DE) 2021-06-23 EP disclosed