SCHEMBL19954802

SCHEMBL19954802

C/C=C\CC(N)(CCC)C(CC)(CC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.31
KIF11 P52732 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL19954769 0.78 CYP1A2 (0.32) KIF11
SCHEMBL19954763 0.74 KCNN4 (0.44) KCNN4KIF11TAAR1
SCHEMBL19954798 0.72 KIF11 (0.39) KCNN4KIF11TAAR1
SCHEMBL1538412 0.72 KCNN4 (0.41) KCNN4KIF11TAAR1
SCHEMBL28366875 0.69 KCNN4 (0.42) KCNN4KIF11TAAR1
SCHEMBL9756593 0.68 KCNN4 (0.46) KCNN4KIF11TAAR1
SCHEMBL909515 0.68 KCNN4 (0.35) KCNN4KIF11TAAR1
SCHEMBL19954765 0.68 TAAR1 (0.41) KCNN4KIF11TAAR1
SCHEMBL1538276 0.68 KCNN4 (0.44) KCNN4KIF11TAAR1
SCHEMBL19954771 0.68 SOAT2 (0.35) KCNN4KIF11

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-9917273-B2 Cross-linking polymer and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-13 US disclosed