SCHEMBL16770710

SCHEMBL16770710

CC[C@@H](CO)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
LMNA P02545 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CNR2 P34972 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16771268 1.00 TSHR (0.36) TSHRMAPTMEN1KMT2AGABRA1
SCHEMBL12646232 0.88 TSHR (0.42) TSHRMAPTMEN1KMT2AGABRA1
SCHEMBL26922751 0.80 GABBR2 (0.35) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL26922749 0.80 GABBR2 (0.35) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL21164276 0.80 TSHR (0.35) TSHRMAPTMEN1KMT2AESR1
SCHEMBL26923223 0.80 GABBR2 (0.35) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL11225092 0.80 GABBR2 (0.43) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL16770812 0.80 TSHR (0.35) TSHRMAPTMEN1KMT2AAKR1B10
SCHEMBL18713913 0.77 RAPGEF4 (0.36) TSHRADRA2AADRA2BADRA2C
SCHEMBL23159252 0.77 ALDH1A1 (0.35) TSHRMAPTMEN1KMT2ALMNA

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
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed