SCHEMBL625103

SCHEMBL625103

COc1ccc(/C=C2\CC(=O)CCO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.60
DYRK1B Q9Y463 3/20 0.60
MAPT P10636 2/20 0.60
CLK1 P49759 3/20 0.54
CYP1A2 P05177 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PIM1 P11309 1/20 0.44
AKR1B1 P15121 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
EGFR P00533 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
METAP1 P53582 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL625104 1.00 DYRK1A (0.60) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL28587111 0.83 EGFR (0.50) DYRK1ADYRK1BMAPTNPC1RAB9A
SCHEMBL28587113 0.83 EGFR (0.50) DYRK1ADYRK1BMAPTNPC1RAB9A
SCHEMBL625784 0.80 KMT2A (0.57) CYP1A2RAB9AAKR1B1MAOBGAA
SCHEMBL28575415 0.79 ALDH1A1 (0.56) DYRK1ADYRK1BMAPTCYP1A2PIM1
SCHEMBL28575414 0.79 ALDH1A1 (0.56) DYRK1ADYRK1BMAPTCYP1A2PIM1
SCHEMBL28588030 0.78 KMT2A (0.58) DYRK1AMAPTCYP1A2RAB9APIM1
SCHEMBL28915136 0.78 MIF (0.49) MAPTCYP1A2NPC1RAB9AEGFR
SCHEMBL28915135 0.78 MIF (0.49) MAPTCYP1A2NPC1RAB9AEGFR
SCHEMBL28588029 0.78 KMT2A (0.58) DYRK1AMAPTCYP1A2RAB9APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed