SCHEMBL4862984

SCHEMBL4862984

C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DPP4 P27487 1/20 0.34
BRD4 O60885 1/20 0.34
FFAR1 O14842 1/20 0.32
IDO1 P14902 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
BCHE P06276 1/20 0.31
RECQL P46063 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
SCHEMBL4912188 0.92 NAAA (0.36) NAAACTSLCTSBCTSKOPRM1
SCHEMBL4912191 0.92 NAAA (0.36) NAAACTSLCTSBCTSKOPRM1
SCHEMBL6575168 0.92 NAAA (0.36) NAAACTSLCTSBCTSKOPRM1
SCHEMBL4912199 0.92 NAAA (0.36) NAAACTSLCTSBCTSKOPRM1
SCHEMBL4861959 0.87 SIGMAR1 (0.39) NAAACTSLCTSBCTSKOPRM1
SCHEMBL22906947 0.85 CTSL (0.41) NAAACTSLCTSBCTSKOPRM1
SCHEMBL21029509 0.85 CTSL (0.41) NAAACTSLCTSBCTSKOPRM1
SCHEMBL21028938 0.85 CTSL (0.41) NAAACTSLCTSBCTSKOPRM1
SCHEMBL4862979 0.82 TSHR (0.38) HTR2BLMNA
SCHEMBL14107854 0.82 OPRM1 (0.33) NAAACTSLCTSBCTSKOPRM1

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 3 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
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