SCHEMBL9690185

SCHEMBL9690185

COC(=O)C1OC1(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
STAT1 P42224 1/20 0.36
DHODH Q02127 2/20 0.36
HPGD P15428 1/20 0.36
GRIN2B Q13224 2/20 0.35

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
SCHEMBL11647981 0.84 MEN1 (0.43) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL9691713 0.83 SLC6A3 (0.38) MAPTLMNAALDH1A1MAPK1HSD17B10
SCHEMBL9691988 0.83 TDP1 (0.39) SLC6A2MAPTLMNAALDH1A1TDP1
SCHEMBL9692259 0.81 ATM (0.50) ALDH1A1MAPK1POLBSMN1; SMN2NPC1
SCHEMBL11479516 0.81 SLC6A4 (0.37) SLC6A2MAPTALDH1A1HTT
SCHEMBL9692273 0.81 SLC6A3 (0.37) SLC6A2MAPTALDH1A1MAPK1POLB
SCHEMBL8115242 0.81 HTT (0.53) MAPTLMNAALDH1A1MAPK1HSD17B10
SCHEMBL9692296 0.80 RAB9A (0.46) MAPTALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL9692252 0.79 ALDH1A1 (0.45) MAPTALDH1A1MAPK1HSD17B10TDP1
SCHEMBL9692693 0.79 RAB9A (0.38) MAPTLMNAALDH1A1HTTSMN1; SMN2

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
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed