SCHEMBL5515941

SCHEMBL5515941

Nc1cccc2c(O)c(F)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.40
KEAP1 Q14145 1/20 0.39
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 5/20 0.38
IDO1 P14902 2/20 0.36
HDAC3 O15379 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NR4A2 P43354 1/20 0.36
PARP1 P09874 3/20 0.36
TTR P02766 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5517966 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5522864 0.80 HPGD (0.46) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5513042 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL20498005 0.74 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5516180 0.74 HSD17B1 (0.33) ALDH1A1HSD17B1HSD17B2
SCHEMBL5508766 0.74 HSD17B1 (0.33) HSD17B1HSD17B2
SCHEMBL5514095 0.73 CES2 (0.38)
SCHEMBL5509893 0.73 HSD17B1 (0.35) ALDH1A1CYP3A4HSD17B10HSD17B1HSD17B2
SCHEMBL5507509 0.73 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5511753 0.73 IDO1 (0.42) TDP1KEAP1HSD17B1HSD17B2IDO1

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed