SCHEMBL7987686

SCHEMBL7987686

CC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(OCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PTGDR2 Q9Y5Y4 10/20 0.44
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PKM P14618 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL881308 0.83 CA12 (0.50) KMT2AMEN1CYP2C19CREBBP
SCHEMBL8637573 0.83 KMT2A (0.60) KMT2AMEN1PTGDR2LTB4RLTB4R2
SCHEMBL6314588 0.79 LMNA (0.47) CREBBP
SCHEMBL1473470 0.79 HSD11B1 (0.40) KMT2AMEN1CREBBP
SCHEMBL6139341 0.78 ESRRA (0.46) CREBBP
SCHEMBL4705593 0.78 AKR1C3 (0.48)
SCHEMBL9300174 0.78 AKR1C3 (0.44) KMT2ACREBBP
SCHEMBL14002242 0.77 HSD17B10 (0.41) PKM
SCHEMBL2311506 0.77 RARA (0.43) PTGDR2PKMCREBBP
SCHEMBL5533467 0.76 FFAR1 (0.52) KMT2AMEN1PTGDR2PKMCREBBP

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
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed