SCHEMBL6234511

SCHEMBL6234511

C=CC(=O)NCC12CCC(CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 7/20 0.39
TGM2 P21980 3/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
P2RX7 Q99572 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3371366 0.82 ALDH1A1 (0.61) ALDH1A1TSHREPHX2TGM2HSD17B10
SCHEMBL10119331 0.76 HSD17B10 (0.41) ALDH1A1TSHREPHX2HSD17B10KMT2A
SCHEMBL13506274 0.74 MAPT (0.44) ALDH1A1TSHREPHX2HSD17B10KMT2A
SCHEMBL6232628 0.71 EPHX2 (0.38) ALDH1A1TSHRMAPK1TDP1EPHX2
SCHEMBL1605591 0.69 ALDH1A1 (0.44) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL1318679 0.69 TSHR (0.37) ALDH1A1TSHRMAPK1HSD17B10KMT2A
SCHEMBL13387469 0.67 MEN1 (0.49) ALDH1A1EPHX2KMT2AMEN1
SCHEMBL4085893 0.67 P2RX7 (0.36) P2RX7
SCHEMBL3716616 0.66 ALDH1A1 (0.38) ALDH1A1TSHREPHX2KMT2AMEN1
SCHEMBL17969194 0.66

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-0857766-B1 Process for producing aqueous ink for inkjet printing KAO CORP (JP) 2005-04-20 EP disclosed
US-5998501-A DISSOLVING POLYMER AND HYDROPHOBIC DYE IN WATER INSOLUBLE SOLVENT; ADDING WATER AND NEUTRALIZING AGENT; EMULSIFICATION; DESOLVENTIZING KAO CORPORATION (JP) 1999-12-07 US disclosed
EP-0857766-A1 Process for producing aqueous ink for inkjet printing KAO CORPORATION (JP) 1998-08-12 EP disclosed
EP-0379305-B1 Low odor adhesive compositions MINNESOTA MINING & MFG (US) 1994-05-11 EP disclosed
US-4945006-A UNSATURATED CYCLIC AMIDES, ANAEROBIC PROCESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-31 US disclosed
EP-0379305-A1 Low odor adhesive compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-25 EP disclosed