SCHEMBL6582284

SCHEMBL6582284

COc1ccc(C=O)cc1OC1c2ccccc2CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
TSHR P16473 1/20 0.54
TTR P02766 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FDPS P14324 1/20 0.44
AOX1 Q06278 1/20 0.43
TRIM24 O15164 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4637286 0.85 ALDH1A1 (0.51) ALDH1A1TSHRTTRTAAR1MAPT
SCHEMBL498539 0.81 ALDH1A1 (0.60) ALDH1A1TSHRTTRMAPTSMN1; SMN2
SCHEMBL22713946 0.74 ALDH1A1 (0.68) ALDH1A1TSHRTTRHPGDFDPS
SCHEMBL4637249 0.73 ALDH1A1 (0.50) ALDH1A1TSHRTTRMAPTSMN1; SMN2
SCHEMBL6883557 0.73 ALDH1A1 (0.66) ALDH1A1TSHRFDPSPDE4BPDE4A
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.73 ALDH1A1 (1.00) ALDH1A1TSHRTTRMAPTSMN1; SMN2
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.73 ALDH1A1 (1.00) ALDH1A1TSHRTTRMAPTSMN1; SMN2
3,4-Dimethoxybenzaldehyde SCHEMBL29364994 0.73 ALDH1A1 (1.00) ALDH1A1TSHRTTRMAPTSMN1; SMN2
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.73 ALDH1A1 (1.00) ALDH1A1TSHRTTRMAPTSMN1; SMN2
SCHEMBL70252 0.72 ALDH1A1 (0.64) ALDH1A1TSHRTTRMAPTSMN1; SMN2

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-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed