SCHEMBL17847397

SCHEMBL17847397

COCCOCOc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)n(C(=O)O)n2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.59
RARA P10276 6/20 0.56
RARG P13631 10/20 0.43
RARB P10826 4/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC11 Q96DB2 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
SCHEMBL19639494 0.91 IKBKB (0.55) IKBKBRARARARGRARBMEN1
SCHEMBL23927761 0.85 IKBKB (0.45) IKBKBRARARARGRARBMEN1
SCHEMBL19639432 0.85 RARA (0.67) IKBKBRARARARGRARBMEN1
SCHEMBL19639451 0.83 RARA (0.63) IKBKBRARARARGRARBMEN1
SCHEMBL19639516 0.83 IKBKB (0.60) IKBKBRARARARGRARBMEN1
SCHEMBL17847403 0.82 RARA (0.50) IKBKBRARARARGRARBMEN1
SCHEMBL19639489 0.82 RARA (0.62) IKBKBRARARARGRARBMEN1
SCHEMBL19639470 0.82 IKBKB (0.59) IKBKBRARARARGRARBMEN1
SCHEMBL30428692 0.82 IKBKB (0.61) IKBKBRARARARGRARBMEN1
SCHEMBL25230655 0.82 IKBKB (0.61) IKBKBRARARARGRARBMEN1

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