SCHEMBL6561805

SCHEMBL6561805

CC(C)CCC(C)C.CC(CCC(C)OOC(=O)c1ccccc1)OOC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
F2 P00734 1/20 0.52
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NPC1 O15118 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL10340068 0.95 LMNA (0.57) LMNAF2TSHRALDH1A1TDP1
SCHEMBL8166783 0.86 LMNA (0.47) LMNAF2TSHRALDH1A1TDP1
SCHEMBL4462319 0.86 LMNA (0.47) LMNAF2TSHRALDH1A1TDP1
SCHEMBL5055172 0.84 LMNA (0.46) LMNAF2TSHRALDH1A1TDP1
SCHEMBL2327166 0.84 LMNA (0.48) LMNAF2TSHRALDH1A1TDP1
SCHEMBL27519361 0.84 ALDH1A1 (0.49) LMNAF2TSHRALDH1A1TDP1
SCHEMBL8467742 0.83 LMNA (0.55) LMNAF2TSHRALDH1A1TDP1
SCHEMBL10108072 0.80 ALDH1A1 (0.59) LMNAF2TSHRALDH1A1TDP1
SCHEMBL9860726 0.79 TDP1 (0.54) LMNAF2TSHRALDH1A1TDP1
SCHEMBL245415 0.78 LMNA (0.64) LMNAF2TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398164-A1 INK-JET PRINTING Kansai Paint Co., Ltd. (JP) 2004-03-17 EP disclosed
US-20030179269-A1 Ink-jet printing KANSAI PAINT CO., LTD. (JP) 2003-09-25 US disclosed