SCHEMBL5509999

SCHEMBL5509999

Nc1c(F)cc2cc(O)ccc2c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.40
ESR2 Q92731 10/20 0.40
HSD17B3 P37058 1/20 0.37
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
AR P10275 1/20 0.33
AKR1C3 P42330 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL83629 0.82 ESR1 (0.43) ESR1ESR2HSD17B3HSD17B1HSD17B2
SCHEMBL5508151 0.80 PLAU (0.38) KDM4EALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL5518748 0.80 ESR1 (0.48) ESR1ESR2HSD17B3HSD17B1HSD17B2
SCHEMBL17787997 0.78 LMNA (0.50) CYP1A2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL5513218 0.78 ESR1 (0.41) ESR1ESR2HSD17B3HSD17B1HSD17B2
SCHEMBL5510033 0.74 ESR1 (0.49) ESR1ESR2CYP1A2LMNAHSD17B10
SCHEMBL5514071 0.74 EGFR (0.34) AR
SCHEMBL3823621 0.74 HPRT1 (0.41) CYP1A2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL31610284 0.74 HPRT1 (0.41) CYP1A2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL30022727 0.74 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP1A2

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