SCHEMBL6587022

SCHEMBL6587022

CCOC(=O)CCC1[CH]CC[N]C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
TSHR P16473 2/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL27740322 0.77 ALDH1A1 (0.51) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL6585443 0.74 ALDH1A1 (0.37) ALDH1A1GAATSHRLMNAHSD17B10
SCHEMBL7992593 0.71 TDP1 (0.40) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL6477414 0.69 ALDH1A1 (0.44) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL10394015 0.67 ALDH1A1 (0.63) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL26970249 0.66 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL17054513 0.66 ALDH1A1 (0.42) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL18623243 0.65 ALDH1A1 (0.50) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL31608534 0.64 CA1 (0.46) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL7453783 0.64 CYP1A2 (0.46) ALDH1A1ALOX15TDP1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed