SCHEMBL8984459

SCHEMBL8984459

CC(CCCCC=CCCCCCCO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
LTA4H P09960 1/20 0.44
BLM P54132 2/20 0.44
GABRR1 P24046 2/20 0.41
CYP1A2 P05177 2/20 0.41
CNR1 P21554 1/20 0.40
TBXAS1 P24557 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8984455 1.00 ACE2 (0.46) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL414072 0.92 ACE2 (0.52) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL8984408 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL1875589 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL4451173 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL8984582 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL3685397 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL8230933 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL16536902 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL8984664 0.88 ACE2 (0.55) ACE2LTA4HBLMGABRR1CYP1A2

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-0711746-A1 Process for preparing hydroxycarboxylic acids UNILEVER PLC (GB) 1996-05-15 EP disclosed
US-5502226-A SELECTIVE REDUCTION OF DIKETONE TO KETO ACIDS USING HYDROGEN IN THE PRESENCE OF BASE ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1996-03-26 US disclosed