SCHEMBL27587237

SCHEMBL27587237

CCC(O)(CC)c1ccc(-c2cccc(OCc3cc[c]c(CO)c3)c2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CD274 Q9NZQ7 5/20 0.33
PDCD1 Q15116 2/20 0.33
PTGER1 P34995 1/20 0.31
HPD P32754 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL27587219 0.90 VDR (0.36) VDRMRGPRX4MAPTMAPK1TDP1
SCHEMBL6564914 0.82 VDR (0.50) VDRMRGPRX4MAPTMAPK1TDP1
SCHEMBL27568056 0.80 VDR (0.44) VDR
SCHEMBL27568017 0.74 VDR (0.42) VDR
SCHEMBL27587249 0.74 FFAR1 (0.42) VDR
SCHEMBL27587233 0.73 VDR (0.48) VDR
SCHEMBL27587234 0.73 MAPT (0.32) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL27568019 0.73 F9 (0.37) VDRMRGPRX4
SCHEMBL6563072 0.72 VDR (0.53) VDRMRGPRX4MAPTMAPK1TDP1
SCHEMBL15057075 0.71 VDR (0.36) VDR

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
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN claimed
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN disclosed