SCHEMBL19657616

SCHEMBL19657616

C=C(CC(C)(C)C)N1CCCc2ccc(SP3CC(C)(C)C3(C)C)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.32
RIPK1 Q13546 2/20 0.32
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL19657912 0.70 CREBBP (0.41) HDAC6RIPK1TMEM97SIGMAR1
SCHEMBL27347680 0.65 MAPT (0.41) HDAC6
SCHEMBL19657619 0.64 RIPK1 (0.37) HDAC6RIPK1TMEM97SIGMAR1
SCHEMBL24258523 0.62 GPR142 (0.35) HDAC6RIPK1
SCHEMBL11329942 0.61 NOTUM (0.49) HDAC6RIPK1TMEM97SIGMAR1
SCHEMBL18803822 0.61 MEN1 (0.43)
SCHEMBL20129896 0.61 MEN1 (0.39)
SCHEMBL19657893 0.61 DPP8 (0.42) HDAC6RIPK1TMEM97SIGMAR1
SCHEMBL19657828 0.60 CREBBP (0.36) RIPK1
SCHEMBL19657386 0.60 CREBBP (0.36) HDAC6RIPK1

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-3464270-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2022-02-23 EP disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed