SCHEMBL7759944

SCHEMBL7759944

COC(=O)C(C)(O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
KCNN4 O15554 1/20 0.49
PGR P06401 2/20 0.46
LTA4H P09960 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SRC P12931 1/20 0.45
ELANE P08246 2/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL6689010 0.86 KCNN4 (0.64) KCNN4NPC1RAB9AALDH1A1MEN1
SCHEMBL595015 0.86 KCNN4 (0.64) KCNN4NPC1RAB9AALDH1A1MEN1
SCHEMBL6684121 0.86 KCNN4 (0.64) KCNN4NPC1RAB9AALDH1A1MEN1
SCHEMBL3191632 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HPGDPDK1PDK2PDK3
SCHEMBL8780675 0.84 PPARA (0.51) SMN1; SMN2HPGDPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL27493060 0.84 KCNN4 (0.62) KCNN4NPC1RAB9AALDH1A1MEN1
SCHEMBL7756224 0.83 NPC1 (0.52) SMN1; SMN2HPGDPDK1PDK2PDK3
SCHEMBL8591431 0.82 MAPT (0.54) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL5383914 0.80 NPC1 (0.56) SMN1; SMN2LTA4HNPC1RAB9AALDH1A1
SCHEMBL9475849 0.80 CES1 (0.53) SMN1; SMN2HPGDPDK1PDK2PDK3

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
EP-1092712-A1 Process for preparing fungicidal oxazolidinones and imidazolinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-18 EP disclosed
US-4922010-A Processes for preparing 2-substituted propionic acid and derivatives thereof UBE INDUSTRIES, LTD. (JP) 1990-05-01 US disclosed