SCHEMBL7029201

SCHEMBL7029201

Cc1cc(C(F)(c2cc(C)c(O)c(C)c2)C(F)(F)C(F)(F)F)cc(C)c1O.Oc1c(Cl)cc(C(F)(c2cc(Cl)c(O)c(Cl)c2)C(F)(F)C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 2/20 0.35
TTR P02766 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
THRB P10828 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2833024 0.91 HSD17B10 (0.42) MEN1MAPTKMT2AESR1ESR2
SCHEMBL2837831 0.89 ESR1 (0.45) MEN1MAPTKMT2ANPSR1ESR1
SCHEMBL12635966 0.75 PDE2A (0.43) MEN1MAPTKMT2ANPSR1ESR1
SCHEMBL28420984 0.71 PRKCE (0.39) MEN1MAPTKMT2ANPSR1ESR1
SCHEMBL697863 0.71 ESR1 (0.48) MEN1MAPTKMT2ANPSR1ESR1
SCHEMBL697862 0.71 ESR1 (0.43) MEN1MAPTKMT2ANPSR1ESR1
SCHEMBL29185432 0.70 TSHR (0.43) ESR1ESR2HSD17B10TSHRCA1
SCHEMBL6844032 0.70 HSD17B10 (0.46) MEN1MAPTKMT2AESR1ESR2
SCHEMBL11126270 0.70 ESR1 (0.46) MEN1MAPTKMT2AESR1ESR2
SCHEMBL9861334 0.69 ESR1 (0.47) MEN1MAPTKMT2ANPSR1ESR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589672-B1 Photosensitive resin; and cyanine dye having excellent blue color purity FUJI ELECTRIC CO., LTD (JP) 2003-07-08 US disclosed