SCHEMBL9838197

SCHEMBL9838197

O=C(O)CCCCCCCCCCC1=CC(=O)OC1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.46
RXFP1 Q9HBX9 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38
PTGS1 P23219 4/20 0.37
PTGS2 P35354 4/20 0.37
SCD O00767 1/20 0.37
TBXAS1 P24557 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9838247 0.86 ALDH1A1 (0.39) F13A1RXFP1MAPTALDH1A1
SCHEMBL9327608 0.82 MAPT (0.41) MAPTSCD
SCHEMBL7298216 0.80 ACHE (0.39) MAPTALDH1A1PTGS2TDP1
SCHEMBL7302029 0.80 ACHE (0.39) MAPTALDH1A1PTGS2TDP1
SCHEMBL9736150 0.74 FFAR4 (0.38) F13A1
SCHEMBL10578736 0.73 PDCD4 (0.42)
SCHEMBL10576730 0.73 PDCD4 (0.45) LMNATSHRALDH1A1PTGS1TDP1
SCHEMBL9766944 0.73 CYP3A4 (0.34) ALDH1A1PTGS2
SCHEMBL10431835 0.72 PPARG (0.45) F13A1MAPTRECQLTBXAS1TDP1
SCHEMBL2927176 0.70 F13A1 (0.41) F13A1RXFP1MAPTLMNATSHR

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
US-5059611-A Treating psoriasis and modifying calcium homeostatis ALLERGAN, INC. (US) 1991-10-22 US disclosed
EP-0369812-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed