SCHEMBL27936730

SCHEMBL27936730

O=C(N1CCN(c2ccc(O)cc2)CC1)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
AKR1C3 P42330 10/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ME2 P23368 6/20 0.58
ME1 P48163 6/20 0.58
ME3 Q16798 6/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CA12 O43570 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.55

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
SCHEMBL3466014 0.86 TDP1 (0.64) TDP1LMNAKDM4EGAAMAPT
SCHEMBL7041242 0.84 MAPT (0.68) TDP1LMNAKDM4EGAAMAPT
SCHEMBL1128293 0.84 GFER (0.71) TDP1LMNAKDM4EGAAMAPT
SCHEMBL19059406 0.84 TDP1 (0.62) TDP1LMNAKDM4EGAAMAPT
SCHEMBL22627287 0.82 LMNA (0.70) TDP1LMNAKDM4EGAAMAPT
SCHEMBL20696070 0.82 GFER (0.69) TDP1LMNAKDM4EGAAMAPT
SCHEMBL27607283 0.82 AKR1C3 (0.83) LMNAKDM4EGAAAKR1C3ALDH1A1
SCHEMBL28806386 0.82 GFER (0.73) TDP1LMNAKDM4EGAAMAPT
SCHEMBL27792690 0.81 AKR1C3 (0.82) LMNAMAPTAKR1C3ALDH1A1HTT
SCHEMBL10981623 0.80 ME2 (0.64) TDP1LMNAKDM4EGAAMAPT

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
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN claimed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN disclosed