SCHEMBL2467404

SCHEMBL2467404

CCC1(CC=CC(=O)O)COC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.34
GABRR2 P28476 2/20 0.34
BLM P54132 2/20 0.34
TSHR P16473 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.31
EPHX1 P07099 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
SCHEMBL7133540 0.74 GABRR1 (0.31) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL23121591 0.74 TSHR (0.36) TSHRHCAR2
SCHEMBL664472 0.73 CD81 (0.33)
SCHEMBL2152446 0.71
SCHEMBL8765456 0.71 TSHR (0.38) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL8765452 0.71 TSHR (0.38) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL15933562 0.70 EPHX1 (0.36) TSHRTDP1EPHX1
SCHEMBL1352530 0.69
SCHEMBL3393034 0.69 HCAR2 (0.36) TSHRHCAR2
SCHEMBL782180 0.68 EPHX1 (0.31) TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371910-A9 Ink composition, inkjet recording method and process for producing molded printed material Fujifilm Corporation (JP) 2012-07-11 EP disclosed
US-20110242191-A1 INK COMPOSITION, INKJET RECORDING METHOD AND PROCESS FOR PRODUCING MOLDED PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2011-10-06 US disclosed
EP-2371910-A1 Ink composition, inkjet recording method and process for producing molded printed material Fujifilm Corporation (JP) 2011-10-05 EP disclosed