SCHEMBL6156507

SCHEMBL6156507

CC1(C)OCc2ccc(C=O)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.33
AOX1 Q06278 1/20 0.33
TRIM24 O15164 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MAOB P27338 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A3 P47895 2/20 0.32
FDPS P14324 1/20 0.32
CYP2A6 P11509 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL30340334 1.00 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL6156513 0.87 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL30044913 0.87 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL21623026 0.82 ALDH1A1 (0.38) ALDH1A1TDP1HSD17B10HPGDKMT2A
SCHEMBL15866739 0.81 IAPP (0.45) ALDH1A1TDP1HPGDKMT2AMEN1
SCHEMBL21623028 0.80 MAOB (0.33) MAOB
SCHEMBL14879768 0.80 KDM4E (0.50) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL14879769 0.80 KDM4E (0.50) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL6155717 0.79 TUBB4A (0.38) ALDH1A1HPGDMAOBKMT2AMEN1
SCHEMBL309778 0.77 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 CN disclosed
CN-111886219-A Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2020-11-03 CN disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 WO 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
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