SCHEMBL21099513

SCHEMBL21099513

C[C@H]1CCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
ACHE P22303 1/20 0.34
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL7705974 0.83 KMT2A (0.31) KMT2ACA1CA2CA4
SCHEMBL8223755 0.82
SCHEMBL10211380 0.82
SCHEMBL9256078 0.80 ACHE (0.43) EPHX1ACHEKMT2ACA1CA2
SCHEMBL5189 0.80
Cycloheptane SCHEMBL23885013 0.80 ACHE (0.43) EPHX1ACHEKMT2ACA1CA2
SCHEMBL15121491 0.80 ACHE (0.43) EPHX1ACHEKMT2ACA1CA2
SCHEMBL9791506 0.80 ACHE (0.43) EPHX1ACHEKMT2ACA1CA2
Cyclohexane SCHEMBL3670822 0.80 ACHE (0.43) EPHX1ACHEKMT2ACA1CA2
SCHEMBL802 0.80

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-2019112689-A1 FEED ADDITIVE COMPOSITIONS NUTRIQUEST, LLC (US) 2019-06-13 WO disclosed