SCHEMBL9065858

SCHEMBL9065858

O=C(O)CCCCC=Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
F7 P08709 6/20 0.49
F3 P13726 6/20 0.49
PPARA Q07869 6/20 0.49
PPARG P37231 6/20 0.49
PPARD Q03181 5/20 0.49
FFAR1 O14842 4/20 0.49
PTGS1 P23219 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ESR1 P03372 1/20 0.49
SRD5A2 P31213 1/20 0.49
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 8/20 0.47
CYP19A1 P11511 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
CYP3A4 P08684 3/20 0.47

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
SCHEMBL9065856 1.00 TBXAS1 (0.56) TBXAS1LTB4RLTB4R2F7F3
SCHEMBL1006879 0.98 TBXAS1 (0.55) TBXAS1LTB4RLTB4R2F7F3
SCHEMBL1006878 0.98 TBXAS1 (0.55) TBXAS1LTB4RLTB4R2F7F3
SCHEMBL10988834 0.90 TBXAS1 (0.47) TBXAS1LTB4RLTB4R2F7F3
SCHEMBL10988837 0.90 TBXAS1 (0.47) TBXAS1LTB4RLTB4R2F7F3
SCHEMBL10988831 0.90 TBXAS1 (0.47) TBXAS1LTB4RLTB4R2F7F3
SCHEMBL9421120 0.89 FASN (0.49) TBXAS1LTB4RLTB4R2F7F3
SCHEMBL727447 0.88 HSD11B1 (0.50) TBXAS1PPARGFFAR1PTGS1ALDH1A1
SCHEMBL2043779 0.88 HSD11B1 (0.50) TBXAS1PPARGFFAR1PTGS1ALDH1A1
SCHEMBL727448 0.88 HSD11B1 (0.50) TBXAS1PPARGFFAR1PTGS1ALDH1A1

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
EP-0537954-B1 Process of preparing diphenylmethane derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-24 EP disclosed
US-5235091-A Reacting a phenol compound with a stilbene compound in presence of methanesulfonic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-10 US disclosed
EP-0537954-A1 Process of preparing diphenylmethane derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-21 EP disclosed