SCHEMBL8024133

SCHEMBL8024133

Oc1ccc(C23CC4CC(CC(C4)C2)C3)c(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
CNR2 P34972 2/20 0.42
MAPT P10636 2/20 0.40
XBP1 P17861 1/20 0.40
RARB P10826 4/20 0.38
RARA P10276 2/20 0.38
RARG P13631 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL27243408 0.93 CNR2 (0.35) MEN1KMT2AGAAPOLBGFER
SCHEMBL8766363 0.86 MEN1 (0.43) MEN1KMT2AGAAPOLBGFER
SCHEMBL2420330 0.81 MEN1 (0.50) MEN1KMT2AGAAPOLBGFER
SCHEMBL27419643 0.79 CNR2 (0.48) MEN1KMT2AGAAPOLBGFER
SCHEMBL5028672 0.79 KMT2A (0.43) MEN1KMT2AGAAPOLBGFER
SCHEMBL3755595 0.78 MEN1 (0.55) MEN1KMT2AGAAPOLBGFER
SCHEMBL6033366 0.75 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
SCHEMBL27829414 0.75 MEN1 (0.46) MEN1KMT2AGAAPOLBGFER
Formic Acid SCHEMBL28092830 0.75 RARB (0.44) MEN1KMT2AGAAPOLBGFER
SCHEMBL30179543 0.74 MEN1 (0.40) MEN1KMT2AGAAPOLBGFER

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed
EP-0358574-B1 PROCESS FOR THE PREPARATION OF ADAMANTANE-1 DERIVATIVES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-17 EP disclosed
EP-0358574-A1 Process for the preparation of adamantane-1 derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1990-03-14 EP disclosed