SCHEMBL4862979

SCHEMBL4862979

C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(O)C[C@H]1O[Si](C)(C)C(C)(C)C.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PDE4D Q08499 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA1 P00915 1/20 0.31
CHRM3 P20309 1/20 0.31
ALOX5 P09917 1/20 0.31
SLC6A2 P23975 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
EPHX2 P34913 1/20 0.31
HTR2B P41595 1/20 0.30
DAO P14920 1/20 0.30
LMNA P02545 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL4330110 0.82
SCHEMBL4862984 0.82 NAAA (0.37) HTR2BLMNA
SCHEMBL6575168 0.80 NAAA (0.36)
SCHEMBL4912191 0.80 NAAA (0.36)
SCHEMBL4912188 0.80 NAAA (0.36)
SCHEMBL4912199 0.80 NAAA (0.36)
SCHEMBL16261738 0.79 TSHR (0.37) TSHRPDE4DTAAR1POLBKDM4E
SCHEMBL782760 0.79 TSHR (0.37) TSHRPDE4DTAAR1POLBKDM4E
SCHEMBL16261737 0.79 TSHR (0.37) TSHRPDE4DTAAR1POLBKDM4E
SCHEMBL783646 0.77 TAAR1 (0.37) TSHRPDE4DTAAR1SLC6A2LMNA

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-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 US disclosed
EP-1559708-A1 2,2-DI-SUBSTITUTED 1a,25-DIHYDROXY-19-NORVITAMIN D DERIVATIVE Shimizu, Masato (JP) 2005-08-03 EP disclosed