SCHEMBL10925985

SCHEMBL10925985

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.51
▸ S1PR3 Q99500 3/20 0.51
▸ S1PR2 O95136 3/20 0.51
▸ MAPT P10636 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ CYSLTR2 Q9NS75 2/20 0.46
▸ CYSLTR1 Q9Y271 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ LTB4R Q15722 1/20 0.42
▸ ALB P02768 2/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL10926731 0.87 MAPT (0.68) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL10925065 0.85 MAPT (0.54) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL5809402 0.85 MAPT (0.54) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL9860436 0.84 MAPT (0.69) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL2835656 0.84 MAPT (0.69) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL25575670 0.84 MAPT (0.69) S1PR1S1PR3S1PR2MAPTRXFP1
Iocanlidic Acid SCHEMBL290025 0.84 MAPT (0.69) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL2197174 0.82 MAPT (0.66) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL10925462 0.82 MAPT (0.50) S1PR1S1PR3S1PR2MAPTRXFP1
SCHEMBL7783334 0.79 ALDH1A1 (0.66) MAPTALDH1A1HSD17B10FFAR4

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-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
WO-1985000753-A1 CHEMICAL COMPOUNDS MALLINCKRODT, INC. (US) 1985-02-28 — — WO disclosed
Send feedback