SCHEMBL7653702

SCHEMBL7653702

O=C(O)CCc1cccc(C=CCOC(=O)N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KEAP1 Q14145 1/20 0.41
EPOR P19235 3/20 0.40
FFAR1 O14842 3/20 0.39
MAOB P27338 2/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
PTPRB P23467 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
PTEN P60484 1/20 0.39
PTPMT1 Q8WUK0 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7107398 1.00 CYP4F2 (0.41) CYP4F2CYP4A11KEAP1EPORFFAR1
Tert-Butylamine SCHEMBL7657274 0.94 CYP4F2 (0.39) CYP4F2CYP4A11KEAP1EPORFFAR1
Tert-Butylamine SCHEMBL7657269 0.94 CYP4F2 (0.39) CYP4F2CYP4A11KEAP1EPORFFAR1
SCHEMBL7111901 0.93 HDAC3 (0.43) CYP4F2CYP4A11EPORFFAR1MAOB
SCHEMBL7657160 0.93 HDAC3 (0.43) CYP4F2CYP4A11EPORFFAR1MAOB
Tert-Butylamine SCHEMBL7657275 0.88 HDAC3 (0.39) CYP4F2CYP4A11EPORFFAR1MAOB
SCHEMBL7109965 0.87 FFAR1 (0.45) KEAP1FFAR1
SCHEMBL7107759 0.83 MMP1 (0.47) EPORMAOBAKR1B10AKR1B1MMP1
SCHEMBL7657096 0.80 PPARA (0.50) EPORFFAR1MAOBKDM4EALDH1A1
SCHEMBL7111045 0.80 PPARA (0.50) EPORFFAR1MAOBKDM4EALDH1A1

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-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US claimed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed