SCHEMBL8729220

SCHEMBL8729220

O=P(Cl)(Cl)CCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
S1PR2 O95136 2/20 0.49
S1PR4 O95977 2/20 0.49
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 1/20 0.48
SIGMAR1 Q99720 4/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 2/20 0.47
CETP P11597 1/20 0.46
HDAC1 Q13547 2/20 0.45
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
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 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
SCHEMBL10453073 0.94 TSHR (0.52) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL6824408 0.85 TSHR (0.55) TSHRCETPSMN1; SMN2
SCHEMBL7434180 0.84 TSHR (0.61) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL4414066 0.79 S1PR2 (0.72) TSHRS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL8729222 0.78 S1PR2 (0.70) TSHRS1PR2S1PR4S1PR1S1PR3
Zinc Ion SCHEMBL28530931 0.78 TSHR (0.53) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL28541500 0.78 TSHR (0.53) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL3208019 0.78 S1PR2 (0.75) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL8949998 0.78 S1PR2 (0.75) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL2399825 0.78 S1PR2 (0.75) TSHRS1PR2S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701561-B1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 MENARINI LAB (ES) 1998-08-19 EP disclosed
EP-0701561-A1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 LABORATORIOS MENARINI S.A. (ES) 1996-03-20 EP disclosed
WO-1994028004-A1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 LABORATORIOS MENARINI S.A. (ES) 1994-12-08 WO disclosed
US-4900860-A Process for preparing phosphonyloxyacyl amino acids E. R. SQUIBB & SONS, INC. (US) 1990-02-13 US disclosed
US-4885380-A REACTING PHOSPHONIC ACID DICHLORIDE WITH ALPHA-HYDROXY ACID TO FORM CYCLIC MIXED ANHYDRIDE; REACTING WITH AMINO ACID THOTTATHIL JOHN K (US) 1989-12-05 US disclosed
EP-0237264-A2 Process for preparing phosphonyloxyacyl amino acids and derivates thereof E.R. Squibb & Sons, Inc. (US) 1987-09-16 EP disclosed