SCHEMBL9803398

SCHEMBL9803398

C=CCNC(=O)C1CC2C=CC1(CC=C)C2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL10577886 0.85
SCHEMBL9802803 0.82 OPRK1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL9802748 0.81
SCHEMBL9802837 0.81
SCHEMBL9802840 0.81
SCHEMBL9803445 0.79 KMT2A (0.47) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL10358806 0.78 KMT2A (0.34) LMNAKMT2AALDH1A1MEN1OPRM1
SCHEMBL10409570 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10936493 0.72 KMT2A (0.40) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL11613244 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992518-A Heat-resistant adhesives; matrix resins; dielectrics; composites; lamination CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4861885-A Allylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid amides CIBA-GEIGY CORPORATION (US) 1989-08-29 US disclosed