SCHEMBL8663585

SCHEMBL8663585

CC(OC=Cc1ccccc1)OCCOS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP24A1 Q07973 1/20 0.37
HTT P42858 1/20 0.34
HTR2A P28223 3/20 0.33
PPARG P37231 3/20 0.33
NFE2L2 Q16236 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4543866 0.79 MEN1 (0.39) ALDH1A1HTR2ALMNANPC1MTOR
SCHEMBL28089546 0.78 HTR2A (0.38) ALDH1A1HTR2ALMNANPC1MTOR
SCHEMBL8662776 0.78 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL27620966 0.77 RELA (0.40) ALDH1A1LMNANPC1MTORTP53
SCHEMBL8664460 0.76 ALDH1A1 (0.39) ALDH1A1HTTLMNANPC1CYP3A4
SCHEMBL1395549 0.76 RELA (0.44) HTR2APPARGLMNANPC1MTOR
SCHEMBL28089554 0.74 NPC1 (0.41) HTR2ALMNANPC1MTORTP53
SCHEMBL28089544 0.73 HTR2A (0.42) HTR2APPARGLMNANPC1MTOR
SCHEMBL8661187 0.72 KDM4E (0.40) PPARG
SCHEMBL6042296 0.71 SIGMAR1 (0.42) CYP24A1HTR2APPARGNFE2L2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852128-A Acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials CLARIANT AG (CH) 1998-12-22 US disclosed