SCHEMBL27719476

SCHEMBL27719476

CCOC(=O)c1ccccc1C(=O)Oc1ccccc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.66
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
FAAH O00519 1/20 0.49
CDC25B P30305 1/20 0.49
TP53 P04637 3/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11816195 0.87 KMT2A (0.57) TSHRALDH1A1HSD17B10KDM4ETDP1
SCHEMBL18867935 0.83 TSHR (0.74) TSHRALDH1A1HSD17B10KDM4ETDP1
SCHEMBL29604433 0.83 TSHR (0.74) TSHRALDH1A1HSD17B10KDM4ETDP1
SCHEMBL2325118 0.83 TSHR (0.74) TSHRALDH1A1HSD17B10KDM4ETDP1
Bromide SCHEMBL38660840 0.82 TSHR (0.71) TSHRALDH1A1HSD17B10KDM4ETDP1
SCHEMBL2833886 0.81 KMT2A (0.56) ALDH1A1HSD17B10KDM4ELMNAKMT2A
SCHEMBL27663439 0.81 TSHR (0.84) TSHRALDH1A1HSD17B10KDM4ETDP1
SCHEMBL5706005 0.81 TSHR (0.66) TSHRALDH1A1HSD17B10KDM4ETDP1
SCHEMBL5706110 0.81 TSHR (0.66) TSHRALDH1A1HSD17B10KDM4EL3MBTL1
SCHEMBL5706131 0.81 TSHR (0.66) TSHRALDH1A1HSD17B10TDP1L3MBTL1

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
CN-101287692-B Preparation method of optically active fluorobenzyl alcohol CENTRAL GLASS CO LTD 2012-06-06 CN disclosed
CN-101287692-A Preparation method of optically active fluorobenzyl alcohol CENTRAL GLASS CO LTD (JP) 2008-10-15 CN disclosed