SCHEMBL5507568

SCHEMBL5507568

Cc1cc2c(C(C)c3ccccc3)c3ccccc3c(C(C)c3ccccc3)c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 1/20 0.41
▸ TYR P14679 1/20 0.38
▸ LDHA P00338 3/20 0.36
▸ LDHB P07195 2/20 0.36
▸ DAO P14920 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ KIF11 P52732 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ BACE1 P56817 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
SCHEMBL419410 0.87 VKORC1 (0.49) VKORC1TYRDAOKMT2AMEN1
SCHEMBL10491803 0.84 VKORC1 (0.41) VKORC1TYRDAOKIF11KMT2A
SCHEMBL9782878 0.78 MEN1 (0.44) VKORC1TYRDAOCYP1A2KMT2A
SCHEMBL5843477 0.77 KIF11 (0.47) VKORC1TYRCYP1A2KIF11LMNA
SCHEMBL9770108 0.77 VKORC1 (0.37) VKORC1TYRDAOCYP1A2KIF11
SCHEMBL3766411 0.77 VKORC1 (0.37) VKORC1TYRCYP1A2KIF11KMT2A
SCHEMBL9770025 0.76 VKORC1 (0.41) VKORC1TYRDAOKMT2AMEN1
SCHEMBL9279226 0.75 SLC6A2 (0.49) VKORC1TYRDAOCYP1A2KMT2A
SCHEMBL9064122 0.74 TYR (0.52) TYRDAOKMT2ATAAR1KDM4E
SCHEMBL3088422 0.74 TSHR (0.41) VKORC1TYRKMT2ATAAR1LMNA

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-1106639-B1 PHOTOCURABLE COMPOSITION CONTAINING IODONIUM SALT COMPOUND NIPPON SODA CO (JP) 2007-08-29 — — EP disclosed
US-6558871-B1 Photopolymerization initiator comprising at least one of diaryliodonium salt NIPPON SODA CO. LTD. (JP) 2003-05-06 — — US disclosed
EP-1106639-A1 PHOTOCURABLE COMPOSITION CONTAINING IODONIUM SALT COMPOUND NIPPON SODA CO., LTD. (JP) 2001-06-13 — — EP disclosed
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