SCHEMBL5508750

SCHEMBL5508750

Nc1ccc(F)c2c(O)ccc(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
EP300 Q09472 2/20 0.38
KAT2B Q92831 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
IDO1 P14902 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36

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
SCHEMBL5513895 0.84 PIM1 (0.50) ALOX15HSD17B10HPGDIDO1PIM1
SCHEMBL5515943 0.84 ALDH1A1 (0.46) ALOX15ALDH1A1SMN1; SMN2CA6CA5A
Hydrochloric Acid SCHEMBL21525921 0.82 ALDH1A1 (0.43) ALOX15ALDH1A1MAPK1SMN1; SMN2CA6
SCHEMBL5605438 0.79 PIM1 (0.50) ALOX15ALDH1A1HSD17B10EP300KAT2B
SCHEMBL29689333 0.79 PIM1 (0.50) ALOX15ALDH1A1HSD17B10EP300KAT2B
SCHEMBL5606134 0.79 PIM1 (0.50) ALOX15ALDH1A1HSD17B10EP300KAT2B
SCHEMBL5515524 0.74 TSHR (0.50) ALOX15ALDH1A1HSD17B10EP300KAT2B
SCHEMBL25122116 0.71 PIM1 (0.38) ALOX15HSD17B10HPGDPIM1CA6
SCHEMBL5512084 0.69 CA6 (0.43) ALOX15ALDH1A1HSD17B10EP300KAT2B
SCHEMBL5511548 0.68 EP300 (0.35) ALOX15ALDH1A1HSD17B10EP300KAT2B

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