SCHEMBL5522970

SCHEMBL5522970

Nc1cccc2c(O)cc(F)c(F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 2/20 0.38
APP P05067 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
SNCA P37840 1/20 0.38
RECQL P46063 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
EP300 Q09472 2/20 0.35
HDAC3 O15379 1/20 0.35
IDO1 P14902 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 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
SCHEMBL5510149 0.82 ALDH1A1 (0.42) TSHRHPGDALDH1A1HSD17B10TDP1
SCHEMBL5518010 0.82 HPGD (0.52) TSHRHPGDALDH1A1HSD17B10TDP1
SCHEMBL5515524 0.77 TSHR (0.50) TSHRHPGDALDH1A1HSD17B10TDP1
SCHEMBL5511582 0.74 IDO1 (0.41) TSHRHPGDHSD17B10TDP1ALOX15
SCHEMBL5508794 0.74 ALDH1A1 (0.34) TSHRHPGDALDH1A1HSD17B10TDP1
SCHEMBL5513559 0.73 ALDH1A1 (0.41) TSHRHPGDALDH1A1HSD17B10TDP1
SCHEMBL5515941 0.72 ALDH1A1 (0.44) TSHRHPGDALDH1A1HSD17B10TDP1
SCHEMBL5514241 0.72 ALDH1A1 (0.39) TSHRHPGDALDH1A1HSD17B10TDP1
SCHEMBL5507591 0.71 KDM4E (0.33) TSHRHPGDHSD17B10TDP1ALOX15
SCHEMBL8519454 0.71 IDO1 (0.60) TSHRHPGDALDH1A1HSD17B10TDP1

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