SCHEMBL9737113

SCHEMBL9737113

CCCCCC(O[C]=O)C(=O)OC(C)CCCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.51
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.40
NAAA Q02083 1/20 0.36
CA1 P00915 2/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
ABCB1 P08183 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL11656302 0.86 LMNA (0.46) FAAHCNR1CNR2CA1ZDHHC7
SCHEMBL9316108 0.83 CYP3A4 (0.45) FAAHCNR1CNR2ALDH1A1KDM4E
SCHEMBL7027599 0.83 CTSK (0.38) FAAHALDH1A1CA1ZDHHC7MAPT
SCHEMBL185251 0.79 MAPT (0.42) FAAHALDH1A1NAAACA1ZDHHC7
SCHEMBL7959392 0.79 NAAA (0.43) FAAHALDH1A1NAAACA1ZDHHC7
SCHEMBL5569443 0.79 FAAH (0.34) FAAHCA1MAPT
SCHEMBL6388508 0.78 NAAA (0.46) FAAHALDH1A1NAAACA1ZDHHC7
SCHEMBL9161765 0.78 MAPT (0.44) ALDH1A1NAAACA1ZDHHC7MAPT
SCHEMBL11777423 0.78 NAAA (0.46) FAAHALDH1A1NAAACA1ZDHHC7
SCHEMBL7250719 0.78 CA2 (0.36) ALDH1A1CA1ZDHHC7L3MBTL1MAPT

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-5085686-A Plant growth regulator BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed