SCHEMBL8624780

SCHEMBL8624780

O=C1CC(O)(Cc2ccccc2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.43
DDB1 Q16531 4/20 0.43
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TOP2A P11388 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL11725386 0.73 CRBN (0.40) CRBNDDB1LMNAHTTNPSR1
SCHEMBL9614983 0.73 CRBN (0.37) CRBNDDB1LMNAHTTNPSR1
SCHEMBL16865428 0.72 MMP9 (0.56) ATMSMN1; SMN2CYP3A4MMP9MMP8
SCHEMBL11724574 0.71 HTT (0.37) CRBNDDB1LMNAHTTNPSR1
SCHEMBL27831127 0.71 L3MBTL1 (0.41) CRBNDDB1LMNAHTTNPSR1
SCHEMBL4749681 0.69 TSHR (0.36) CRBNDDB1LMNANPSR1KDM4E
SCHEMBL13967211 0.69 CYP3A4 (0.41) CRBNDDB1HTTATMSMN1; SMN2
SCHEMBL11281090 0.69 DDB1 (0.36) CRBNDDB1LMNAHTTNPSR1
SCHEMBL21646073 0.69 HTT (0.49) LMNAHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL11208493 0.69 NPSR1 (0.66) LMNAHTTNPSR1L3MBTL1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10168058-A None JP disclosed
JP-3200762-A None JP disclosed
JP-H10168058-A PRODUCTION OF OPTICALLY ACTIVE 1-BENZYL-3-HYDROXYPYRROLIDINE KOEI CHEM CO LTD 1998-06-23 JP disclosed
JP-H03200762-A PRODUCTION OF 1-BENZYL-3-PYRROLIDINOL KANEGAFUCHI CHEM IND CO LTD 1991-09-02 JP disclosed