SCHEMBL17680916

SCHEMBL17680916

Cc1ccc(-c2cccc3c2OCCC(=O)N3)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 11/20 0.62
BRD4 O60885 9/20 0.62
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
DYRK1A Q13627 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
NPC1 O15118 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL15964658 0.77 CREBBP (0.55) CREBBPBRD4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17673128 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL22369211 0.76 BRD4 (0.64) CREBBPBRD4ALDH1A1MEN1KMT2A
SCHEMBL27051273 0.73 CREBBP (0.38) CREBBPBRD4ALDH1A1SMN1; SMN2NPC1
SCHEMBL19539048 0.73 CREBBP (0.65) CREBBPBRD4ALDH1A1MEN1KMT2A
SCHEMBL27060152 0.72 BRD4 (0.39) CREBBPBRD4MEN1KMT2ALMNA
SCHEMBL4484367 0.71 NPC1 (0.41) CREBBPBRD4MEN1KMT2AADRA1A
SCHEMBL22369151 0.70 CREBBP (0.67) CREBBPBRD4ALDH1A1LMNA
SCHEMBL19539069 0.69 CREBBP (0.69) CREBBPBRD4
SCHEMBL22368752 0.69 CREBBP (0.45) CREBBPBRD4NPC1MAPK13MAPK12

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-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-20150147457-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2015-05-28 US disclosed