SCHEMBL5809402

SCHEMBL5809402

CC(CCCCCCCC(=O)O)CCCCCCc1ccc(I)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 3/20 0.48
S1PR2 O95136 3/20 0.48
HSD17B10 Q99714 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL10925065 1.00 MAPT (0.54) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL10925462 0.97 MAPT (0.50) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL2835656 0.87 MAPT (0.69) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL25575670 0.87 MAPT (0.69) MAPTRXFP1S1PR1S1PR3S1PR2
Iocanlidic Acid SCHEMBL290025 0.87 MAPT (0.69) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL9860436 0.87 MAPT (0.69) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL5033209 0.87 S1PR2 (0.50) S1PR1S1PR3S1PR2ALB
Iodofiltic Acid SCHEMBL4422554 0.87 S1PR2 (0.50) S1PR1S1PR3S1PR2ALB
Iodofiltic Acid SCHEMBL4422557 0.87 S1PR2 (0.50) S1PR1S1PR3S1PR2ALB
Iodofiltic Acid SCHEMBL289760 0.87 S1PR2 (0.50) S1PR1S1PR3S1PR2ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004321-B1 STABLE RADIOACTIVE MEDECINE DAIICHI RADIOISOTOPE LAB (JP) 2003-02-26 EP claimed
EP-0153403-A4 CHEMICAL COMPOUNDS. MALLINCKRODT INC (US) 1985-12-11 EP claimed
EP-0153403-A1 CHEMICAL COMPOUNDS Mallinckrodt, Inc. (a Delaware corporation) (US) 1985-09-04 EP claimed
WO-1985000753-A1 CHEMICAL COMPOUNDS MALLINCKRODT, INC. (US) 1985-02-28 WO claimed
WO-2006117945-A1 METHOD FOR DETECTING LIPID METABOLISM DISORDER, AND DIAGNOSTIC AGENT FOR USE THEREIN KOCHI UNIVERSITY (JP) 2006-11-09 WO disclosed
EP-1004321-B1 STABLE RADIOACTIVE MEDECINE DAIICHI RADIOISOTOPE LAB (JP) 2003-02-26 EP disclosed
EP-1004321-A1 STABLE RADIOACTIVE MEDECINE DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2000-05-31 EP disclosed
EP-0153403-A4 CHEMICAL COMPOUNDS. MALLINCKRODT INC (US) 1985-12-11 EP disclosed
EP-0153403-A4 CHEMICAL COMPOUNDS. MALLINCKRODT INC (US) 1985-12-11 EP disclosed
EP-0153403-A1 CHEMICAL COMPOUNDS Mallinckrodt, Inc. (a Delaware corporation) (US) 1985-09-04 EP disclosed
EP-0153403-A1 CHEMICAL COMPOUNDS Mallinckrodt, Inc. (a Delaware corporation) (US) 1985-09-04 EP disclosed
WO-1985000753-A1 CHEMICAL COMPOUNDS MALLINCKRODT, INC. (US) 1985-02-28 WO disclosed
WO-1985000753-A1 CHEMICAL COMPOUNDS MALLINCKRODT, INC. (US) 1985-02-28 WO disclosed