SCHEMBL8568836

SCHEMBL8568836

CCCCCC(CO)(CC(=O)O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
FFAR1 O14842 2/20 0.38
CPT2 P23786 1/20 0.38
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
PTPN1 P18031 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
FABP4 P15090 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.36
PDE4A P27815 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
SCHEMBL28479255 0.81 SPHK2 (0.41) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3499694 0.79 HMGCR (0.36) TDP1FFAR1CPT2TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL28224208 0.74 TSHR (0.35) TSHR
SCHEMBL14207383 0.73 HMGCR (0.34) TDP1FFAR1CPT2TSHRALDH1A1
SCHEMBL7747263 0.72 SPHK2 (0.34) TSHRALDH1A1
SCHEMBL2468613 0.71 TDP1 (0.42) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL921947 0.71 TSHR (0.35) TDP1TSHRALDH1A1ESR1
SCHEMBL12141737 0.70 TDP1 (0.41) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL11654576 0.70 TDP1 (0.48) TDP1FFAR1CPT2AKR1B1GPR84
Hexane SCHEMBL1533186 0.70 TDP1 (0.48) TDP1FFAR1CPT2AKR1B1GPR84

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
US-5714598-A Sulfated acid amides having anticoagulant properties RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 1998-02-03 US disclosed
WO-1997012893-A1 SULFATED ACID AMIDES HAVING ANTICOAGULANT PROPERTIES RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 1997-04-10 WO disclosed
US-5589588-A Sulfated acid amides having anticoagulant properties RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 1996-12-31 US disclosed