SCHEMBL3985972

SCHEMBL3985972

CC(C)(C)c1cc(C[C@H](N)[C]=O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 5/20 0.43
NR1I2 O75469 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM4E B2RXH2 5/20 0.40
RECQL P46063 4/20 0.40
HIF1A Q16665 3/20 0.40
USP2 O75604 3/20 0.40
PTGS2 P35354 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
HTR2A P28223 2/20 0.40
EGFR P00533 2/20 0.40
FYN P06241 2/20 0.40

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
SCHEMBL3985970 1.00 ALOX15 (0.43) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL3994642 0.81 TAAR1 (0.52) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL849960 0.80 ALOX15 (0.59) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL5311684 0.80 ALOX15 (0.59) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL11136069 0.80 ALOX15 (0.59) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL18194421 0.80 ALOX15 (0.51) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL3985975 0.79 ALDH1A1 (0.43) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL7892985 0.79 SLC7A5 (0.67) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL10656842 0.79 SLC7A5 (0.67) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL29809967 0.79 SLC7A5 (0.67) ALOX15ALDH1A1HSD17B10NR1I2LMNA

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
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed