SCHEMBL25185076

SCHEMBL25185076

O=C(C=Cc1ccc(O)cc1)c1ccc(OCC2CC2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.60
CYP2C19 P33261 3/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 3/20 0.60
NFKB1 P19838 3/20 0.60
CYP2C9 P11712 2/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 2/20 0.60
ALOX15 P16050 2/20 0.60
HSD17B10 Q99714 2/20 0.60
APP P05067 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
GMNN O75496 1/20 0.60
ESR1 P03372 1/20 0.60
MMP1 P03956 1/20 0.60
GBA1 P04062 1/20 0.60

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
SCHEMBL25233393 1.00 CYP3A4 (0.60) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL25210537 0.94 NFKB1 (0.60) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL25193106 0.94 CYP3A4 (0.64) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL25235708 0.86 APP (0.62) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL25195734 0.79 CYP3A4 (0.62) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL25199799 0.79 APP (0.80) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL7570307 0.78 MAOB (0.87) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL30384812 0.78 MAOB (0.87) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL25198485 0.78 MAOB (0.87) CYP3A4CYP2C19MEN1LMNAMAPT
SCHEMBL5515061 0.78 ABCG2 (0.91) CYP3A4CYP2C19MEN1LMNAMAPT

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
WO-2023086388-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2023-05-19 WO disclosed