SCHEMBL22369151

SCHEMBL22369151

Cc1c(-c2cccc3c2OCCC(=O)N3)n(C)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.67
BRD4 O60885 8/20 0.43
GSK3B P49841 3/20 0.41
GSK3A P49840 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NTRK1 P04629 2/20 0.38
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL17680582 0.81 CREBBP (1.00) CREBBPBRD4
SCHEMBL22369150 0.77 CREBBP (0.75) CREBBPBRD4
SCHEMBL22369113 0.76 CREBBP (0.56) CREBBPBRD4ALDH1A1HPGD
SCHEMBL19539048 0.76 CREBBP (0.65) CREBBPBRD4GSK3BGSK3ACDK5
SCHEMBL22369229 0.74 CREBBP (0.51) CREBBPBRD4
SCHEMBL22369020 0.73 CREBBP (0.69) CREBBPBRD4
SCHEMBL17680744 0.72 CREBBP (0.76) CREBBPBRD4
SCHEMBL22369022 0.72 CREBBP (0.76) CREBBPBRD4
SCHEMBL22369155 0.71 CREBBP (0.70) CREBBPBRD4
SCHEMBL15964658 0.71 CREBBP (0.55) CREBBPBRD4GSK3BCDK5CDK5R1

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 1 patent. 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