SCHEMBL6886818

SCHEMBL6886818

CCC(O)(CC)CCCC(C)c1ccc(OCc2ccc(C(=O)OC)c(C(=O)OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HSP90AA1 P07900 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
FFAR1 O14842 2/20 0.37
TSHR P16473 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
SCHEMBL6886666 0.89 CYSLTR2 (0.40) NPC1RAB9AHSP90AA1L3MBTL1MRGPRX4
SCHEMBL6155146 0.88 NPC1 (0.47) NPC1RAB9AHSP90AA1L3MBTL1PTPN1
SCHEMBL6155468 0.79 NPC1 (0.42) NPC1RAB9AHSP90AA1L3MBTL1MEN1
SCHEMBL6155463 0.79 VDR (0.44) NPC1RAB9AHSP90AA1L3MBTL1MEN1
SCHEMBL6154639 0.77 CYSLTR2 (0.43) KMT2ASMN1; SMN2MRGPRX4FFAR1
SCHEMBL6881337 0.77 CYSLTR2 (0.42) MRGPRX4FFAR1
SCHEMBL27534810 0.76 MRGPRX4 (0.33) MRGPRX4
SCHEMBL2106608 0.74 MRGPRX4 (0.42) SMN1; SMN2MRGPRX4FFAR1
SCHEMBL15613848 0.74 NPC1 (0.59) NPC1RAB9AHSP90AA1L3MBTL1MEN1
SCHEMBL6881292 0.72 MRGPRX4 (0.41) MRGPRX4

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
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN 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