SCHEMBL17680970

SCHEMBL17680970

C=C1C[C@@H](C)Oc2c(C)cccc2N1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 20/20 0.68
BRD4 O60885 16/20 0.68

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
SCHEMBL17680581 0.81 CREBBP (1.00) CREBBPBRD4
SCHEMBL31402309 0.73 CREBBP (0.58) CREBBPBRD4
SCHEMBL19122972 0.71 PARP1 (0.56) CREBBPBRD4
SCHEMBL13074639 0.71 PARP1 (0.56) CREBBPBRD4
SCHEMBL17680932 0.70 CREBBP (0.68) CREBBPBRD4
SCHEMBL17680735 0.70 CREBBP (0.77) CREBBPBRD4
SCHEMBL17681003 0.70 CREBBP (0.77) CREBBPBRD4
SCHEMBL5672928 0.69 CREBBP (0.60) CREBBPBRD4
SCHEMBL31402329 0.69 CREBBP (0.60) CREBBPBRD4
SCHEMBL7981061 0.69 CREBBP (0.53) CREBBPBRD4

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
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed