SCHEMBL7107416

SCHEMBL7107416

CC(C)(C)OC(=O)COc1cccc(/C=C/CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
PKM P14618 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ALOX5 P09917 1/20 0.40
ALOX5AP P20292 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL7107421 1.00 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL7111022 1.00 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL14501312 0.85 CYSLTR2 (0.59) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL528101 0.84 MAOA (0.49) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL410069 0.83 PSEN1 (0.42) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL8322532 0.82 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL17024452 0.82 LMNA (0.53) KDM4EALDH1A1PPARAPPARGPSEN1
SCHEMBL3175689 0.81 LMNA (0.54) KDM4EALDH1A1SMN1; SMN2CYSLTR2PPARA
SCHEMBL3175679 0.81 LMNA (0.54) KDM4EALDH1A1SMN1; SMN2CYSLTR2PPARA
SCHEMBL5047912 0.81 NPC1 (0.43) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1

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-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
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
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed