SCHEMBL17847403

SCHEMBL17847403

COC(=O)c1ccc(-c2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)nn2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.50
RARB P10826 7/20 0.50
RARG P13631 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
IKBKB O14920 3/20 0.49
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL19639500 0.89 RARA (0.45) RARARARBRARGMEN1KMT2A
SCHEMBL17847397 0.82 IKBKB (0.59) RARARARBRARGMEN1KMT2A
SCHEMBL5888301 0.81 RARB (0.57) RARARARBRARGMEN1KMT2A
SCHEMBL23927761 0.79 IKBKB (0.45) RARARARBRARGMEN1KMT2A
SCHEMBL19639508 0.79 RARA (0.50) RARARARBRARGMEN1KMT2A
SCHEMBL9622187 0.79 RARA (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL19639503 0.78 RARA (0.51) RARARARBRARGMEN1KMT2A
SCHEMBL3677626 0.77 RARB (0.74) RARARARBRARGMEN1KMT2A
SCHEMBL29462721 0.77 RARB (0.74) RARARARBRARGMEN1KMT2A
SCHEMBL9453206 0.76 EPHX2 (0.56) RARARARBRARGMEN1KMT2A

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