SCHEMBL9761768

SCHEMBL9761768

COC(=O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
TP53 P04637 1/20 0.47
LTB4R Q15722 1/20 0.46
PTGIR P43119 3/20 0.46
LMNA P02545 2/20 0.45
KAT2B Q92831 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PTPRC P08575 2/20 0.41
PTPN13 Q12923 1/20 0.41
SOAT1 P35610 1/20 0.41

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
SCHEMBL9440886 0.83 PTGIR (0.62) LTB4RPTGIRHDAC3HDAC4HDAC1
SCHEMBL9202422 0.80 PTGIR (0.74) FAAHTP53LTB4RPTGIRLMNA
SCHEMBL9205538 0.80 PTGIR (0.74) FAAHTP53LTB4RPTGIRLMNA
SCHEMBL9201972 0.78 PTGIR (0.77) FAAHTP53LTB4RPTGIRLMNA
SCHEMBL9200486 0.78 PTGIR (0.77) FAAHTP53LTB4RPTGIRLMNA
SCHEMBL8103988 0.77 FAAH (0.61) FAAHTP53LTB4RPTGIRLMNA
SCHEMBL9842871 0.76 FAAH (0.54) FAAHTP53LTB4RPTGIRLMNA
SCHEMBL9842920 0.76 FAAH (0.54) FAAHTP53LTB4RPTGIRLMNA
SCHEMBL22748585 0.76 TLR8 (0.47) SOAT1
Methyl Tetradecanoate SCHEMBL28796204 0.75 PPARG (0.56) FAAHLTB4RLMNAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP claimed
US-5034409-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1991-07-23 US claimed
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP disclosed
US-5034409-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1991-07-23 US disclosed