SCHEMBL9812772

SCHEMBL9812772

COc1ccccc1CC1CC(O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR2C P28335 1/20 0.40
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 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
SCHEMBL26714275 0.82 POLB (0.55) POLBALDH1A1NPSR1PSEN1PSEN2
SCHEMBL31722127 0.82 POLB (0.55) POLBALDH1A1NPSR1PSEN1PSEN2
SCHEMBL13032659 0.81 POLB (0.57) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL3578965 0.80 POLB (0.55) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL14012812 0.80 POLB (0.55) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL9586427 0.80 POLB (0.55) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL8697857 0.80 POLB (0.55) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL12164616 0.80 POLB (0.55) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL8660402 0.80 POLB (0.55) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL31721749 0.79 POLB (0.54) POLBALDH1A1NPSR1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3112962-A None JP disclosed
JP-H03112962-A NEW HYDROXYPYRROLIDINE COMPOUND, INTERMEDIATE FOR PRODUCTION THEREOF AND PRODUCTION THEREOF DAISO CO LTD 1991-05-14 JP disclosed