SCHEMBL24679813

SCHEMBL24679813

CO[C@H]1CC[C@@H](COCc2ccccc2)O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
HRH3 Q9Y5N1 4/20 0.51
LMNA P02545 1/20 0.47
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
ACHE P22303 3/20 0.38
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL18666894 1.00 HRH4 (0.51) HRH4HRH3LMNACTSLCTSB
SCHEMBL23407292 0.86 HRH4 (0.52) HRH4HRH3LMNACTSLCTSB
SCHEMBL11355943 0.84 HRH4 (0.53) HRH4HRH3LMNACTSLCTSB
SCHEMBL24679804 0.82 HRH4 (0.46) HRH4HRH3LMNADRD1PTPN1
SCHEMBL18666931 0.82 HRH4 (0.46) HRH4HRH3LMNACTSLCTSB
SCHEMBL24679803 0.82 HRH4 (0.46) HRH4HRH3LMNADRD1PTPN1
SCHEMBL11381986 0.81 HRH4 (0.53) HRH4HRH3LMNACTSLCTSB
SCHEMBL11353501 0.81 HRH4 (0.56) HRH4HRH3LMNACTSLCTSB
SCHEMBL22073091 0.80 LMNA (0.43) HRH4HRH3LMNACTSLCTSB
SCHEMBL30103457 0.80 HRH4 (0.47) HRH4HRH3LMNACTSLCTSB

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
EP-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 EP disclosed