SCHEMBL17847394

SCHEMBL17847394

CCOCOc1cc[c]cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.36
RARA P10276 2/20 0.36
EPHX2 P34913 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.32
RAB9A P51151 1/20 0.32
TOP2A P11388 2/20 0.31
S1PR1 P21453 1/20 0.30

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
SCHEMBL8648962 0.86 IKBKB (0.49) IKBKBRARAMEN1KMT2AALDH1A1
SCHEMBL8648956 0.80 IKBKB (0.33) IKBKBRARA
SCHEMBL852015 0.79 RARA (0.42) RARAEPHX2MEN1KMT2AALDH1A1
SCHEMBL9318559 0.77 HDAC11 (0.41) RARAEPHX2MEN1KMT2AALDH1A1
SCHEMBL17847406 0.76 RARA (0.42) IKBKBRARAEPHX2MEN1KMT2A
SCHEMBL8648960 0.75
SCHEMBL25330683 0.74 EPHX2 (0.34) IKBKBRARAEPHX2MEN1KMT2A
SCHEMBL19639512 0.73 RARA (0.43) IKBKBRARAEPHX2MEN1KMT2A
SCHEMBL8457849 0.73 RARA (0.47) IKBKBRARAEPHX2MEN1KMT2A
SCHEMBL23071384 0.71 ALDH1A1 (0.38) RARAEPHX2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233806-B1 HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RES & DEV (FR) 2021-10-27 EP disclosed
EP-3233806-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-10-25 EP disclosed
WO-2016097626-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO disclosed