SCHEMBL9110722

SCHEMBL9110722

CCOC(C)OCC.OCc1ccccc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
APOBEC3G Q9HC16 1/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4918898 0.83 LMNA (0.55) LMNACYP4F2CYP4A11L3MBTL1GABRA1
Catechol SCHEMBL15986788 0.78 LMNA (0.55) LMNANPC1TP53RAB9AL3MBTL1
Phenol SCHEMBL3315051 0.77 LMNA (0.52) LMNAL3MBTL1CYP2D6SLC6A2SLC6A3
SCHEMBL21806628 0.76 CYP4F2 (0.41) CYP4F2CYP4A11APOBEC3GPDCD1CD274
Biphenyl SCHEMBL3862996 0.76 LMNA (0.57) LMNAPDCD1CD274NPC1RAB9A
O-Xylene SCHEMBL28066372 0.76 LMNA (0.57) LMNAL3MBTL1CYP2D6SLC6A4KCNH2
Methoxymethane SCHEMBL27638371 0.74 APOBEC3G (0.50) CYP4F2CYP4A11APOBEC3GPDCD1CD274
Tannin Pyrogallol SCHEMBL22288201 0.74 LMNA (0.55) LMNAPDCD1CD274NPC1RAB9A
Biphenyl SCHEMBL8087383 0.74 LMNA (0.55) LMNAPDCD1CD274NPC1RAB9A
Alcohol SCHEMBL1490179 0.74 LMNA (0.80) LMNAALDH1A1

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
WO-1995016049-A1 CATALYTIC CHEMO-ENZYMATIC ASYMMETRIC SYNTHESIS OF CARBOHYDRATES THE SCRIPPS RESEARCH INSTITUTE (US) 1995-06-15 WO claimed
WO-1995016049-A1 CATALYTIC CHEMO-ENZYMATIC ASYMMETRIC SYNTHESIS OF CARBOHYDRATES THE SCRIPPS RESEARCH INSTITUTE (US) 1995-06-15 WO disclosed