SCHEMBL20122042

SCHEMBL20122042

C=C(/C=C\CC)N(CC)c1cccc(C(CC)CC)c1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ TSHR P16473 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
SCHEMBL21776209 0.81 THRB (0.41) ALDH1A1
SCHEMBL18814886 0.78 ALDH1A1 (0.50) ALDH1A1GLATSHR
SCHEMBL21533848 0.73 SIGMAR1 (0.32) —
SCHEMBL21301180 0.72 ALDH1A1 (0.46) ALDH1A1GLATSHR
SCHEMBL19596029 0.68 DHODH (0.36) ALDH1A1GLATSHR
SCHEMBL23254234 0.66 TSHR (0.36) ALDH1A1GLATSHR
SCHEMBL22002870 0.66 NPSR1 (0.38) ALDH1A1GLATSHR
SCHEMBL30656282 0.65 LMNA (0.42) —
SCHEMBL20427770 0.64 ALDH1A1 (0.52) ALDH1A1GLATSHR
SCHEMBL21913825 0.64 FAAH (0.39) ALDH1A1GLATSHR

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-9966557-B2 Translucent electrode, and electronic device Konica Minolta, Inc. (JP) 2018-05-08 — — US disclosed
Send feedback