SCHEMBL10450692

SCHEMBL10450692

CCCCCCCOC(=O)[C@@]1(C)CCC(C2CCC([C@H]3CC[C@H](CC)CC3)CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.34
PSEN1 P49768 3/20 0.33
PRKCA P17252 6/20 0.33
CES2 O00748 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
SCHEMBL10449790 1.00 NAAA (0.34) NAAAPSEN1PRKCACES2
SCHEMBL10450759 0.99 NAAA (0.32) NAAAPSEN1PRKCA
SCHEMBL10451000 0.99 NAAA (0.32) NAAAPSEN1PRKCA
SCHEMBL10450966 0.95 SMN1; SMN2 (0.32)
SCHEMBL10449204 0.95 SMN1; SMN2 (0.32)
SCHEMBL10449475 0.92 NAAA (0.36) NAAAPSEN1PRKCA
SCHEMBL10451051 0.92 NAAA (0.38) NAAA
SCHEMBL10451158 0.92 NAAA (0.38) NAAA
SCHEMBL10450355 0.92 NAAA (0.38) NAAA
SCHEMBL10450078 0.92 NAAA (0.34) NAAAPSEN1PRKCA

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
US-4943384-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-07-24 US disclosed