SCHEMBL9204585

SCHEMBL9204585

O=C(O)/C=C\c1cc(CC(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.69
LTB4R2 Q9NPC1 1/20 0.69
PTGER4 P35408 7/20 0.65
PTGER2 P43116 7/20 0.65
PTGER3 P43115 7/20 0.65
PTGER1 P34995 4/20 0.65
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
PTGDR Q13258 1/20 0.51
AKR1C3 P42330 4/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 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
SCHEMBL9204592 1.00 LTB4R (0.69) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL9205735 0.88 LTB4R (0.58) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL9205737 0.88 LTB4R (0.58) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL344657 0.86 PTGER3 (0.68) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL344658 0.86 PTGER3 (0.68) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL11299028 0.85 LTB4R (0.55) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL11299022 0.85 LTB4R (0.55) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL344776 0.85 PTGER4 (0.70) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL344775 0.85 PTGER4 (0.70) LTB4RLTB4R2PTGER4PTGER2PTGER3
SCHEMBL28606592 0.84 PTGER4 (0.72) LTB4RLTB4R2PTGER4PTGER2PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed