SCHEMBL5684085

SCHEMBL5684085

CC1CC(=O)C=C(C=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.34
MAPT P10636 6/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPK1 P28482 3/20 0.34
HTT P42858 3/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 4/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NOD2 Q9HC29 1/20 0.32
XBP1 P17861 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 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
SCHEMBL5685412 0.79 TLR4 (0.40) MAPTKMT2APOLBTLR4
SCHEMBL5685406 0.79 TLR4 (0.40) MAPTKMT2APOLBTLR4
SCHEMBL13492060 0.74
SCHEMBL1042381 0.70
SCHEMBL15588771 0.68
SCHEMBL1782987 0.68
SCHEMBL14609061 0.68
SCHEMBL7946010 0.67 GAA (0.53) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL9445757 0.65
SCHEMBL11290361 0.65 CRBN (0.34) CRBNALDH1A1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895984-B1 ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEM (JP) 2006-04-12 EP disclosed
US-6215031-B1 REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed
US-6100430-A ALICYCLIC COMPOUND CONTAINING TWO PRIMARY, SECONDARY AND/OR TERTIARY AMINO GROUPS AND HAVING A CARBON ATOM IN THE RING SUBSTITUTED WITH TWO ALKYL GROUPS; MAKING BY REDUCTIVE AMINATION OF A 3-FORMYLCYCLOALKENONE OR 3-FORMYLCYCLOALKANONE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
EP-0976723-A2 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
EP-0895984-A1 ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP disclosed
EP-0895980-A1 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP disclosed