SCHEMBL24496367

SCHEMBL24496367

OCCC(O)C(O)C(O)C(O)OCCOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C19 P33261 1/20 0.37
NAAA Q02083 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.33
UGCG Q16739 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
AGTR2 P50052 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL995692 0.81 KMT2A (0.42) TSHRCA1CA2CA7CA9
SCHEMBL996384 0.80 CA1 (0.46) TSHRCA1CA2CA7CA9
SCHEMBL14543044 0.75 CYP2C19 (0.36) CYP2C19HTTSMN1; SMN2
SCHEMBL24496370 0.75 CA1 (0.37) TSHRCA1CA2CA7CA9
SCHEMBL995693 0.74 CA1 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL23581682 0.74 CA1 (0.56) TSHRCA1CA2CA7CA9
SCHEMBL22633330 0.74 SLC1A3 (0.38) TSHRCA1CA2CA7CA9
SCHEMBL9592045 0.73 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL4411610 0.73 SLC1A3 (0.40) TSHRCA1CA2CA7CA9
SCHEMBL4409728 0.73 SLC1A3 (0.40) TSHRCA1CA2CA7CA9

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-20220177885-A1 ENDOSOMAL CLEAVABLE LINKERS ALNYLAM PHARMACEUTICALS, INC. (US) 2022-06-09 US disclosed