SCHEMBL9317856

SCHEMBL9317856

O=C(Oc1ccc(C(=O)OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
FAAH O00519 2/20 0.41
CNR2 P34972 2/20 0.41
RARB P10826 6/20 0.40
RARG P13631 6/20 0.40
RARA P10276 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 4/20 0.40

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
SCHEMBL8459793 0.85 KMT2A (0.45) MEN1KMT2AMAPTTDP1FAAH
SCHEMBL8766427 0.83 RARG (0.61) MEN1KMT2AMAPTTDP1FAAH
SCHEMBL8766169 0.83 RARB (0.54) MEN1KMT2AMAPTTDP1FAAH
SCHEMBL9126577 0.81 KMT2A (0.48) MEN1KMT2AMAPTTDP1FAAH
SCHEMBL9126806 0.81 RARA (0.47) MEN1KMT2ATDP1FAAHCNR2
SCHEMBL9551164 0.80 KMT2A (0.49) MEN1KMT2AMAPTTDP1RARB
SCHEMBL9122436 0.80 LMNA (0.48) MEN1KMT2AMAPTTDP1FAAH
SCHEMBL9078763 0.78 RARB (0.50) MEN1KMT2AMAPTTDP1FAAH
SCHEMBL8396496 0.78 KMT2A (0.45) MEN1KMT2AMAPTTDP1FAAH
SCHEMBL7511260 0.77 MEN1 (0.61) MEN1KMT2AMAPTTDP1FAAH

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-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP claimed
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP disclosed