SCHEMBL9288807

SCHEMBL9288807

C=CCC(S)C(=O)O.C=CCC(S)C(=O)O.C=CCC(S)C(=O)O.CCCCCCCC[SnH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
FAAH O00519 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
GPR84 Q9NQS5 10/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
FFAR1 O14842 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL11207144 0.80 GPR84 (0.50) MAPTGPR84PPARDFFAR1FFAR4
SCHEMBL173834 0.78
Hydrochloric Acid SCHEMBL11598996 0.76
SCHEMBL6465614 0.76 GPR84 (0.50) MAPTGPR84PPARDFFAR1FFAR4
Acrylic Acid SCHEMBL4448603 0.75 ZDHHC20 (0.47) TSHRKMT2AGPR84PPARGPPARD
Acrylic Acid SCHEMBL4452332 0.75 ZDHHC20 (0.47) TSHRKMT2AGPR84PPARGPPARD
SCHEMBL1461909 0.74 ACE2 (0.45) FAAHMAPTGPR84PPARDFFAR1
SCHEMBL10723729 0.74 ACE2 (0.45) FAAHMAPTGPR84PPARDFFAR1
SCHEMBL5324009 0.72 CA2 (0.40) TSHRMAPTGPR84PPARDALDH1A1
Tetradecane SCHEMBL27553019 0.70 GPR84 (0.50) TSHRKMT2AMAPTGPR84PPARG

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-0237485-B1 Stabilized compositions of rigid PVC CIBA GEIGY AG (CH) 1995-01-18 EP disclosed
EP-0237485-A2 Stabilized compositions of rigid PVC CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed