SCHEMBL8458190

SCHEMBL8458190

CCOC(OC)Oc1cc(C23CC4CC(CC(C4)C2)C3)cc(-c2cccc3ccccc23)c1C(=O)Nc1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
HIF1A Q16665 3/20 0.33
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPAS1 Q99814 1/20 0.32
EPHX2 P34913 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CNR2 P34972 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
RARB P10826 1/20 0.31
BACE1 P56817 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL8457350 0.92 EPHX2 (0.36) MEN1KMT2ANPC1RAB9AHIF1A
SCHEMBL8459014 0.83 CNR2 (0.31) HIF1ACNR2
SCHEMBL8458293 0.82 IKBKB (0.39) DEGS1MEN1KMT2ANPC1RAB9A
SCHEMBL8458404 0.74 HIF1A (0.38) MEN1KMT2AHIF1AEPAS1EPHX2
SCHEMBL8911209 0.71 RARA (0.41) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL8458292 0.70 IKBKB (0.41) KMT2AHIF1AEPAS1CNR2
SCHEMBL7920671 0.70 MEN1 (0.47) MEN1KMT2AMAPTTDP1TP53
SCHEMBL8432026 0.70 HIF1A (0.37) NPC1HIF1AMAPTEPAS1EPHX2
SCHEMBL8424473 0.69 RARA (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8457675 0.68 NPC1 (0.41) MEN1KMT2ANPC1RAB9APOLB

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
US-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US disclosed