SCHEMBL21099705

SCHEMBL21099705

CCC[C@@H](C)NCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.40
SAT1 P21673 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8467849 1.00 SIGMAR1 (0.47) SIGMAR1KMT2AMEN1HTTPAX8
SCHEMBL28057484 0.81
SCHEMBL891398 0.81 SIGMAR1 (0.50) SIGMAR1KMT2AMEN1HTTPAX8
SCHEMBL21516988 0.79 GPR88 (0.35) SIGMAR1KMT2AMEN1HTT
SCHEMBL19818963 0.78 HTT (0.49) SIGMAR1KMT2AMEN1HTT
SCHEMBL10045273 0.77 SAT1 (0.52) SIGMAR1KMT2AMEN1HTTSAT1
SCHEMBL19966723 0.77 HTT (0.48) SIGMAR1KMT2AMEN1HTT
SCHEMBL20983453 0.76 KMT2A (0.39) SIGMAR1KMT2AMEN1PAX8SAT1
SCHEMBL21367458 0.75 SIGMAR1 (0.42) SIGMAR1KMT2AMEN1HTT
SCHEMBL10045276 0.75 SAT1 (0.65) SIGMAR1KMT2AMEN1HTTSAT1

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-2019113530-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ETHER CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION (US) 2019-06-13 WO disclosed