SCHEMBL9403386

SCHEMBL9403386

CC(=O)Oc1ccc2c(c1)CCCCC2=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.53
MAOB P27338 11/20 0.53
BAZ2B Q9UIF8 1/20 0.52
PRKCI P41743 1/20 0.50
PGR P06401 3/20 0.49
ESR1 P03372 1/20 0.49
CHRM2 P08172 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 1/20 0.46

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
SCHEMBL8319226 0.97 BAZ2B (0.56) MAOAMAOBBAZ2BPRKCIALDH1A1
SCHEMBL7389121 0.90 MAPT (0.49) MAOBBAZ2BPGRESR1CHRM2
SCHEMBL30821349 0.90 MAPT (0.49) MAOBBAZ2BPGRESR1CHRM2
SCHEMBL8318501 0.84 MAOA (0.53) MAOAMAOBBAZ2BPRKCIPGR
SCHEMBL19132617 0.84 MAOA (0.50) MAOAMAOBBAZ2BPRKCIMAPK14
SCHEMBL7953934 0.83 MAOB (0.55) MAOAMAOBBAZ2BPRKCIMAPK14
SCHEMBL8319221 0.82 BAZ2B (0.54) MAOAMAOBBAZ2BPRKCI
SCHEMBL17996957 0.82 BAZ2B (0.57) MAOAMAOBBAZ2BPRKCIMAPK14
SCHEMBL9261533 0.82 ALOX15 (0.56) PGRESR1CHRM2ADORA3AR
SCHEMBL6628767 0.81 MAOA (0.54) MAOAMAOBBAZ2BPRKCI

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-5338740-A Angiotensin II receptor antagonists PFIZER INC. (US) 1994-08-16 US disclosed