SCHEMBL6156027

SCHEMBL6156027

C=C(C)C(=O)Oc1c(CCC)ccc(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
IAPP P10997 4/20 0.34
ELANE P08246 2/20 0.34
CTSG P08311 1/20 0.33
PTPN1 P18031 3/20 0.33
PTPN11 Q06124 2/20 0.33
THRB P10828 2/20 0.33
TYR P14679 1/20 0.33
PTPN2 P17706 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7053836 0.82 IAPP (0.43) PRKCIIAPPELANECTSG
SCHEMBL27438656 0.79 PRKCI (0.47) PRKCIELANECTSGTHRBTSHR
SCHEMBL10632040 0.78 PPARA (0.41) PRKCIELANEPTPN1THRB
SCHEMBL15495916 0.77 MTNR1A (0.44) PRKCIELANEPTPN1PTPN11THRB
SCHEMBL2154197 0.75 GABRA1 (0.35) PRKCIELANETHRBKMT2AATM
SCHEMBL28124909 0.75 MTNR1A (0.36) KMT2ATSHR
SCHEMBL27553015 0.75 ALDH1A1 (0.38) ELANEKMT2ATSHR
SCHEMBL5161561 0.75 ALOX5 (0.48) PRKCIIAPPELANETHRB
SCHEMBL11709701 0.74 MTNR1A (0.35) PRKCIELANETHRBTSHR
SCHEMBL11709262 0.73 TSHR (0.39) ELANETHRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499491-A2 AN ORTHODONTIC APPLIANCE Stick Tech OY (FI) 2005-01-26 EP claimed
US-6733288-B2 Orthodontic appliance STICK TECH OY (FI) 2004-05-11 US claimed
WO-2003092987-A2 AN ORTHODONTIC APPLIANCE STICK TECH OY (FI) 2003-11-13 WO claimed
US-20030203333-A1 Orthodontic appliance STICK TECH OY (FI) 2003-10-30 US claimed
EP-1499491-A2 AN ORTHODONTIC APPLIANCE Stick Tech OY (FI) 2005-01-26 EP disclosed
US-6733288-B2 Orthodontic appliance STICK TECH OY (FI) 2004-05-11 US disclosed
WO-2003092987-A2 AN ORTHODONTIC APPLIANCE STICK TECH OY (FI) 2003-11-13 WO disclosed
US-20030203333-A1 Orthodontic appliance STICK TECH OY (FI) 2003-10-30 US disclosed