SCHEMBL23547951

SCHEMBL23547951

COCC1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ SLC5A2 P31639 6/20 0.35
▸ SSTR5 P35346 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ ADK P55263 1/20 0.34
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OGA O60502 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
SCHEMBL23547696 1.00 TSHR (0.39) TSHRSLC5A2SSTR5CYP3A4CYP2D6
SCHEMBL26554486 0.82 OGA (0.38) TSHRSLC5A2EPHX1OGA
SCHEMBL25604827 0.81 TSHR (0.42) TSHRSSTR5EPHX1SSTR1SSTR2
SCHEMBL25608169 0.80 SLC5A2 (0.53) SLC5A2
SCHEMBL4622393 0.79 TSHR (0.43) TSHRCYP3A4CYP2D6EPHX1
SCHEMBL4622391 0.79 TSHR (0.43) TSHRCYP3A4CYP2D6EPHX1
SCHEMBL4622395 0.79 TSHR (0.43) TSHRCYP3A4CYP2D6EPHX1
SCHEMBL25608052 0.77 SSTR5 (0.39) SSTR5EPHX1SSTR1SSTR2SSTR4
SCHEMBL24487718 0.77 TSHR (0.39) TSHREPHX1
SCHEMBL25616085 0.74 SSTR5 (0.35) SLC5A2SSTR5SSTR1SSTR2SSTR4

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-20210189392-A1 S-ANTIGEN TRANSPORT INHIBITING OLIGONUCLEOTIDE POLYMERS AND METHODS ALIGOS THERAPEUTICS, INC. 2021-06-24 — — US disclosed
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