SCHEMBL8318501

SCHEMBL8318501

CC(=O)Oc1ccc2c(c1)C(=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.53
MAOB P27338 6/20 0.53
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
PGR P06401 3/20 0.45
ESR1 P03372 1/20 0.45
CHRM2 P08172 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
AR P10275 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
BRD4 O60885 1/20 0.44
MAPK14 Q16539 1/20 0.44
CYP2A6 P11509 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL27819611 0.90 BRD4 (0.52) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL9688253 0.89 MAOA (0.57) MAOAMAOBSMN1; SMN2BAZ2BBRD4
SCHEMBL8319226 0.88 BAZ2B (0.56) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL29243215 0.87 MAOA (0.55) MAOAMAOBSMN1; SMN2BAZ2BBRD4
SCHEMBL8318498 0.85 MAOA (0.51) MAOAMAOBMAPTBAZ2BBRD4
SCHEMBL9403386 0.84 MAOA (0.53) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL10631228 0.83 MAOA (0.55) MAOAMAOBALDH1A1BAZ2BBRD4
SCHEMBL3896033 0.82 SMN1; SMN2 (0.55) ALDH1A1MAPTSMN1; SMN2CA2CA5A
SCHEMBL30957744 0.81 MAOA (0.48) MAOAMAOBMAPTSMN1; SMN2CA2
SCHEMBL19132364 0.81 MAOA (0.50) MAOAMAOBBRD4CYP2A6MEN1

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
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed
EP-0333315-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE Dr. Lo. Zambeletti S.p.A. (IT) 1991-06-12 EP disclosed
US-4994450-A Side effect reduction DR. LO. ZAMBELETTI S.P.A. (IT) 1991-02-19 US disclosed