SCHEMBL27367484

SCHEMBL27367484

COc1ccccc1CC(CCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
PTGFR P43088 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL8545596 0.77 TDP1 (0.39) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL9548337 0.77 CPA3 (0.56)
SCHEMBL8765867 0.74 CYP1A2 (0.47) LMNAMEN1KMT2AMAPTCRHBP
SCHEMBL9544466 0.74 CYP1A2 (0.47) LMNAMEN1KMT2AMAPTCRHBP
SCHEMBL27368421 0.74 MTNR1A (0.48) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL27369263 0.74 MTNR1A (0.48) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL6971997 0.72 KDM4E (0.46) LMNASMN1; SMN2ALDH1A1
SCHEMBL20543888 0.72 SCN9A (0.50) LMNAGAAMEN1KMT2AMAPT
SCHEMBL362209 0.72 LMNA (0.59) LMNAPOLBSMN1; SMN2HPGD
SCHEMBL29590071 0.72 LMNA (0.59) LMNAPOLBSMN1; SMN2HPGD

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-1063430-C Ethanolamine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2001-03-21 CN disclosed
CN-1084846-A Ethanolamine derivant FUJISAWA PHARMACEUTICAL CO (JP) 1994-04-06 CN disclosed