SCHEMBL16689983

SCHEMBL16689983

COc1ccc(COC(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.75
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
AKR1B10 O60218 3/20 0.65
AKR1B1 P15121 3/20 0.65
CA12 O43570 2/20 0.65
CA4 P22748 2/20 0.65
CA6 P23280 2/20 0.65
CA5A P35218 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
CA5B Q9Y2D0 2/20 0.65
MAPT P10636 3/20 0.61
MAOB P27338 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HSPD1 P10809 1/20 0.58
TNFRSF1A P19438 1/20 0.58
HSPE1 P61604 1/20 0.58
CYP1B1 Q16678 1/20 0.58

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
SCHEMBL16689985 1.00 LMNA (0.75) LMNAMEN1KMT2AAKR1B10AKR1B1
SCHEMBL17603656 0.94 LMNA (0.75) LMNAMEN1KMT2AAKR1B10AKR1B1
SCHEMBL839208 0.94 LMNA (0.75) LMNAMEN1KMT2AAKR1B10AKR1B1
SCHEMBL13833759 0.89 LMNA (0.93) LMNAMEN1KMT2AAKR1B10AKR1B1
SCHEMBL2239306 0.87 MAOB (0.63) LMNAMEN1KMT2AAKR1B10AKR1B1
SCHEMBL435192 0.87 MAOB (0.63) LMNAMEN1KMT2AAKR1B10AKR1B1
SCHEMBL435193 0.87 MAOB (0.63) LMNAMEN1KMT2AAKR1B10AKR1B1
Benzyl Cinnamate SCHEMBL43213 0.86 LMNA (1.00) LMNAMEN1KMT2AAKR1B10AKR1B1
Benzyl Cinnamate SCHEMBL43212 0.86 LMNA (1.00) LMNAMEN1KMT2AAKR1B10AKR1B1
Benzyl Cinnamate SCHEMBL901152 0.86 LMNA (1.00) LMNAMEN1KMT2AAKR1B10AKR1B1

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
US-9029457-B2 Silica-supported oligomeric hybrid materials THE UNIVERSITY OF KANSAS (US) 2015-05-12 US disclosed
US-9029457-B2 Silica-supported oligomeric hybrid materials THE UNIVERSITY OF KANSAS (US) 2015-05-12 US disclosed
US-9029457-B2 Silica-supported oligomeric hybrid materials THE UNIVERSITY OF KANSAS (US) 2015-05-12 US disclosed