SCHEMBL6938263

SCHEMBL6938263

CCOC(=O)CCc1cn(C)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.55
LTB4R2 Q9NPC1 4/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.48
HTR6 P50406 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
SRD5A2 P31213 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
PLA2G4A P47712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
ADA P00813 1/20 0.45

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
SCHEMBL28326780 0.83 KMT2A (0.52) LTB4RLTB4R2KMT2AMEN1HTR6
SCHEMBL21614278 0.82 CYP4F2 (0.51) LTB4RLTB4R2KMT2AMEN1HTR6
SCHEMBL9022843 0.81 LTB4R (0.84) LTB4RLTB4R2HTR6
SCHEMBL10635313 0.80 CYP4F2 (0.53) KMT2AMEN1TRPM8PPARGPPARD
SCHEMBL27386831 0.80 LTB4R (0.64) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL18413804 0.79 HSD17B10 (0.59) KMT2AMEN1KDM4ERXFP1
SCHEMBL6942536 0.79 MEN1 (0.54) LTB4RLTB4R2KMT2AMEN1HTR6
SCHEMBL7901019 0.79 FFAR1 (0.51) KMT2AMEN1TRPM8PPARGPPARD
SCHEMBL9023363 0.79 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL23677910 0.79 KMT2A (0.59) KMT2AMEN1KDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed