SCHEMBL9464872

SCHEMBL9464872

O=C(O)CCCCCCC/C=C\c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.55
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
ALDH1A1 P00352 7/20 0.46
F7 P08709 5/20 0.46
F3 P13726 5/20 0.46
CYP19A1 P11511 3/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
OXER1 Q8TDS5 2/20 0.46
KDM4E B2RXH2 2/20 0.46
FFAR1 O14842 2/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL9464292 1.00 TBXAS1 (0.55) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL9464294 1.00 TBXAS1 (0.55) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL10505227 0.93 TBXAS1 (0.50) TBXAS1LTB4RLTB4R2ALDH1A1F7
SCHEMBL10505231 0.93 TBXAS1 (0.50) TBXAS1LTB4RLTB4R2ALDH1A1F7
SCHEMBL9303907 0.85 TBXAS1 (0.68) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL5176079 0.85 TBXAS1 (0.68) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL849354 0.85 TBXAS1 (0.68) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL849353 0.85 TBXAS1 (0.68) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL8093646 0.85 TBXAS1 (0.68) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL8093649 0.85 TBXAS1 (0.68) TBXAS1LTB4RLTB4R2HDAC1HDAC8

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-5242945-A Antiinflammatory AMERICAN HOME PRODUCTS CORPORATION (US) 1993-09-07 US disclosed
EP-0508690-A1 Tetronic and thiotetronic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-14 EP disclosed