SCHEMBL9114586

SCHEMBL9114586

COc1cc(OC)c(C(=O)CCCCBr)c(O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PAK1 Q13153 1/20 0.45
FASN P49327 1/20 0.40
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRA2C P18825 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TPMT P51580 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL29756609 0.88 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB
SCHEMBL23534110 0.88 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB
SCHEMBL5841291 0.80 MEN1 (0.53) MEN1KMT2ACYP2D6POLBMAPK1
SCHEMBL23534095 0.79 POLB (0.41) MEN1KMT2APAK1POLBMAPK1
SCHEMBL29767827 0.79 POLB (0.41) MEN1KMT2APAK1POLBMAPK1
SCHEMBL9116533 0.77 CYP3A4 (0.59) MEN1KMT2APAK1LMNAHTR1A
SCHEMBL9116021 0.77 MAPT (0.56) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL7324438 0.77 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB
SCHEMBL7411522 0.77 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB
SCHEMBL9117522 0.76 CYP3A4 (0.58) MEN1KMT2APAK1LMNAHTR1A

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
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO disclosed