SCHEMBL8570900

SCHEMBL8570900

COC(=O)c1ccc(C#Cc2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.40
EPHX2 P34913 2/20 0.40
RARA P10276 4/20 0.39
RARG P13631 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8574977 0.89 HDAC11 (0.45) RARBRARARARGHDAC7HDAC2
SCHEMBL6373222 0.89 RARA (0.47) RARBEPHX2RARARARGHDAC3
SCHEMBL8572597 0.83 HIF1A (0.48) RARBEPHX2RARARARGHDAC3
SCHEMBL6374496 0.82 RARA (0.51) RARBRARARARGHDAC7HDAC2
SCHEMBL8569004 0.81 IKBKB (0.52) RARBRARARARGHDAC7HDAC2
SCHEMBL8658216 0.80 HDAC11 (0.35) RARBRARARARGHDAC7HDAC2
SCHEMBL8658213 0.80 IKBKB (0.40) RARBRARARARGHDAC7HDAC2
SCHEMBL5888301 0.74 RARB (0.57) RARBEPHX2RARARARGHDAC3
SCHEMBL8613892 0.74 MEN1 (0.41) RARBRARARARGHDAC3HDAC4
SCHEMBL6378001 0.73 RARA (0.65) RARBRARARARGKDM4EMEN1

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 disclosed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US disclosed