SCHEMBL9802825

SCHEMBL9802825

C=CCC12C=CC(CC1C(=O)NC1CCCCC1)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 7/20 0.33
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31

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 0.81
SCHEMBL10359173 0.80 EPHX1 (0.40) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL9803398 0.80 LMNA (0.45) LMNAALDH1A1NPSR1KDM4EMEN1
SCHEMBL9802840 0.77
SCHEMBL9802748 0.77
SCHEMBL9802837 0.77
SCHEMBL9802803 0.76 OPRK1 (0.34)
SCHEMBL10701502 0.73 LMNA (0.38) LMNAPOLBNPC1RAB9AMAPT
SCHEMBL9803445 0.71 KMT2A (0.47) LMNAPOLBNPC1ALDH1A1GAA
SCHEMBL11613244 0.68

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