SCHEMBL17680682

SCHEMBL17680682

COc1ccc(/C=C/c2cccc3c2OCCC(=O)N3)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.67
CREBBP Q92793 6/20 0.67
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
MAPT P10636 2/20 0.46
RELA Q04206 4/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFE2L2 Q16236 2/20 0.43
CLK1 P49759 1/20 0.41
MAOB P27338 1/20 0.41
APP P05067 1/20 0.40
SNCA P37840 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL22368917 0.85 CREBBP (0.62) BRD4CREBBPMAPTLMNARAB9A
SCHEMBL19518157 0.81 CREBBP (1.00) BRD4CREBBPDYRK1ADYRK1BCLK1
SCHEMBL17680589 0.81 CREBBP (1.00) BRD4CREBBPDYRK1ADYRK1BCLK1
SCHEMBL17673132 0.81 CREBBP (1.00) BRD4CREBBPDYRK1ADYRK1BCLK1
SCHEMBL17680921 0.80 CREBBP (0.67) BRD4CREBBPMAPTRELAKDM4E
SCHEMBL22368874 0.74 BRD4 (0.67) BRD4CREBBPDYRK1ADYRK1BMAPT
SCHEMBL17680611 0.72 CREBBP (1.00) BRD4CREBBP
SCHEMBL4484367 0.70 NPC1 (0.41) BRD4CREBBPMAPT
SCHEMBL15964658 0.70 CREBBP (0.55) BRD4CREBBPMAPTKDM4ERAB9A
SCHEMBL15964652 0.70 PDE3B (0.50) DYRK1ADYRK1BMAPTKDM4ESMN1; SMN2

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 2 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