SCHEMBL9828562

SCHEMBL9828562

CCCCC[C@@H](C)OC(=O)CBr

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.73
CNR1 P21554 1/20 0.73
CNR2 P34972 1/20 0.73
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.44
CA1 P00915 2/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
NAAA Q02083 1/20 0.41
TP53 P04637 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
OPRM1 P35372 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL9831383 1.00 FAAH (0.73) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL9828555 1.00 FAAH (0.73) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL709383 0.84 FAAH (1.00) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL28213215 0.84 FAAH (0.62) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL5862453 0.84 FAAH (0.72) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL9986402 0.82 FAAH (0.65) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL8506453 0.82 FAAH (0.75) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL9958885 0.82 LMNA (0.66) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL6906595 0.82 FAAH (0.65) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL9447664 0.82 FAAH (0.65) FAAHCNR1CNR2ALDH1A1MAPT

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-0191736-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1991-07-17 EP claimed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed