SCHEMBL21782706

SCHEMBL21782706

CCCCSSCCCOCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.37
USP2 O75604 1/20 0.33
PTGS2 P35354 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
CES2 O00748 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL25022305 0.90 TSHR (0.37) TSHRHTTMEN1THRBKMT2A
SCHEMBL24589046 0.84 TSHR (0.60) TSHRHTTMEN1THRBKMT2A
SCHEMBL22455497 0.79 TSHR (0.74) TSHRHTTMEN1THRBKMT2A
SCHEMBL12456968 0.79 TSHR (0.52) TSHRHTTMEN1THRBKMT2A
SCHEMBL3390773 0.78 HSD17B10 (0.36) TSHRHSD17B10
SCHEMBL4653188 0.78 TSHR (0.63) TSHRHTTMEN1THRBKMT2A
SCHEMBL76380 0.78
SCHEMBL11193512 0.78 TSHR (0.46) TSHRHTTTHRBKMT2AUSP2
SCHEMBL223886 0.78 TSHR (0.46) TSHRHTTTHRBKMT2AUSP2
SCHEMBL15593359 0.77

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-20210108207-A1 OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF KYOWA KIRIN CO., LTD. (JP) 2021-04-15 US disclosed
EP-3617314-A1 OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF Kyowa Kirin Co., Ltd. (JP) 2020-03-04 EP disclosed