SCHEMBL6157858

SCHEMBL6157858

CC1(C)OCc2ccc(I)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
TDP2 O95551 2/20 0.32

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
SCHEMBL14881392 0.80 AHR (0.36) TSHRADRA2APNMTADRA2BADRA2C
SCHEMBL29449927 0.80 AHR (0.36) TSHRADRA2APNMTADRA2BADRA2C
SCHEMBL23589315 0.77 TSHR (0.33) TSHR
SCHEMBL23612452 0.77 HPGD (0.38) TSHR
SCHEMBL6156507 0.76 ALDH1A1 (0.42) TSHR
SCHEMBL30340334 0.76 ALDH1A1 (0.42) TSHR
SCHEMBL29625352 0.75 SIGMAR1 (0.43) TSHRADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL4854732 0.75 SIGMAR1 (0.43) TSHRADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL29562160 0.74 TSHR (0.56) TSHR
SCHEMBL16127115 0.74 TSHR (0.56) TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed