SCHEMBL8567757

SCHEMBL8567757

O=C(O)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1C#Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.46
PTPN22 Q9Y2R2 3/20 0.38
PTPRC P08575 2/20 0.38
PTPN2 P17706 2/20 0.38
PTPN1 P18031 2/20 0.38
PTPN6 P29350 2/20 0.38
PTPN9 P43378 2/20 0.38
DUSP3 P51452 2/20 0.38
PTPN11 Q06124 2/20 0.38
KDM4E B2RXH2 4/20 0.38
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
EPHX2 P34913 3/20 0.37
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8567726 0.83 CNR2 (0.41) HNF4APTPN22PTPN6PTPN11KDM4E
SCHEMBL8567961 0.80 FAAH (0.47) PTPN1PTPN6PTPN11KDM4EHIF1A
SCHEMBL8566045 0.79 FAAH (0.41) PTPN22KDM4EHIF1AEPAS1EPHX2
SCHEMBL8570958 0.79 HIF1A (0.38) PTPN22KDM4EHIF1AEPAS1EPHX2
SCHEMBL8568941 0.78 CNR2 (0.39) PTPN22PTPN11KDM4EHIF1AEPAS1
SCHEMBL8568880 0.78 KDM4E (0.33) HNF4APTPN22KDM4EHIF1AEPAS1
SCHEMBL8570623 0.78 RAB9A (0.38) PTPN22KDM4EHIF1AEPAS1EPHX2
SCHEMBL8567786 0.77 CNR2 (0.47) PTPN1PTPN6PTPN11MAPTALDH1A1
SCHEMBL8572650 0.77 CNR2 (0.47) PTPN1PTPN6PTPN11MAPTALDH1A1
SCHEMBL8566872 0.77 CNR2 (0.47) PTPN1PTPN6PTPN11MAPTALDH1A1

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
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US claimed
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed