SCHEMBL3371366

SCHEMBL3371366

C=CC(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TSHR P16473 1/20 0.61
EPHX2 P34913 7/20 0.58
HSD17B10 Q99714 1/20 0.56
TGM2 P21980 1/20 0.49
P2RX7 Q99572 5/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6234511 0.82 ALDH1A1 (0.41) ALDH1A1TSHREPHX2HSD17B10TGM2
SCHEMBL2290939 0.76 ALDH1A1 (1.00) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL11076664 0.76 ALDH1A1 (0.70) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL14644919 0.76 ALDH1A1 (0.70) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL660424 0.75 ALDH1A1 (0.68) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL14644940 0.74 ALDH1A1 (0.51) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL23195092 0.73 ALDH1A1 (0.66) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL10818086 0.73 TGM2 (0.49) EPHX2TGM2
SCHEMBL14342031 0.72 ALDH1A1 (0.63) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL14644935 0.72 ALDH1A1 (0.63) ALDH1A1TSHREPHX2HSD17B10P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539846-B1 GRAFT COPOLYMERS, THEIR PREPARATION AND USE IN CAPILLARY ELECTROPHORESIS LIFE TECHNOLOGIES CORP (US) 2010-09-08 EP claimed
WO-2026102164-A1 COMPOSITIONS AND METHODS OF USE THEREOF BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2026-05-15 WO disclosed
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