SCHEMBL6448296

SCHEMBL6448296

C=CCOc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TBXAS1 P24557 1/20 0.50
CYP4Z1 Q86W10 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
LIPE Q05469 1/20 0.44
USP2 O75604 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL1982816 0.89 MAPT (0.47) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL6667000 0.86 TBXAS1 (0.51) MAPTSMN1; SMN2TBXAS1CYP4Z1ALDH1A1
SCHEMBL8024395 0.85 CYP4F2 (0.59) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL8421528 0.84 SMN1; SMN2 (0.61) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL7038941 0.84 ALDH1A1 (0.52) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL181473 0.84 HPGD (0.61) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL31423870 0.81 CYP4Z1 (0.51) MAPTSMN1; SMN2TBXAS1CYP4Z1ALDH1A1
SCHEMBL25242319 0.81 TBXAS1 (0.54) MAPTSMN1; SMN2TBXAS1CYP4Z1ALDH1A1
SCHEMBL16839694 0.80 LTA4H (0.53) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL68851 0.80 CYP4Z1 (0.62) MAPTSMN1; SMN2POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906113-B2 Surface-active photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2005-06-14 US disclosed
US-20040014832-A1 Surface-active photoinitiators CIBA SPECIALTY CHEMICALS CORP. 2004-01-22 US disclosed
EP-1309599-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-05-14 EP disclosed
WO-2002014326-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-21 WO disclosed