SCHEMBL4378876

SCHEMBL4378876

C=Cc1ccc(C(=O)OCC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
SNCA P37840 1/20 0.43
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL26080997 0.87 ADRB2 (0.44) MAPK1HIF1ASNCATAS1R3TAS1R1
SCHEMBL1496824 0.86 MAPK1 (0.55) MAPK1HIF1AHTTJMJD6ALDH1A1
SCHEMBL5794633 0.85 ALDH1A1 (0.53) MAPK1HIF1ASNCAHTTADRB2
SCHEMBL10134911 0.83 TDP1 (0.40) MAPK1HIF1ASNCATAS1R3TAS1R1
SCHEMBL29030403 0.82 SNCA (0.47) SNCATAS1R3TAS1R1ADRB2ADRB1
SCHEMBL17628392 0.82 SNCA (0.38) MAPK1HIF1ASNCATAS1R3TAS1R1
SCHEMBL26810445 0.80 SNCA (0.49) MAPK1HIF1ASNCATAS1R3TAS1R1
SCHEMBL26417020 0.80 SNCA (0.49) MAPK1SNCATAS1R3TAS1R1ALDH1A1
SCHEMBL9244575 0.79 ADRB2 (0.49) MAPK1HIF1AHTTADRB2ADRB1
SCHEMBL7945129 0.79 ESR1 (0.58) MAPK1HIF1AADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298139-A1 Method for Polymer Synthesis Using Microfluidic Enzymatic Cascade AIR FORCE, UNITED STATES 2009-12-03 US disclosed
WO-2007100831-A2 METHOD FOR POLYMER SYNTHESIS USING MICROFLUIDIC ENZYMATIC CASCADE TUFTS UNIVERSITY (US) 2007-09-07 WO disclosed
US-20070010632-A1 Antioxidant-functionalized polymers TRUSTEES OF TUFTS COLLEGE 2007-01-11 US disclosed
US-20070010632-A1 Antioxidant-functionalized polymers TRUSTEES OF TUFTS COLLEGE 2007-01-11 US disclosed
WO-2004050795-A2 ANTIOXIDANT-FUNCTIONALIZED POLYMERS TUFTS UNIVERSITY (US) 2004-06-17 WO disclosed