SCHEMBL7123794

SCHEMBL7123794

CCCCOC(=O)c1ccc(OC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
ESR1 P03372 3/20 0.68
CYP1A2 P05177 2/20 0.68
TSHR P16473 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2D6 P10635 1/20 0.68
MAPK1 P28482 1/20 0.68
NR1H2 P55055 1/20 0.68
RNASEL Q05823 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
PDE4D Q08499 1/20 0.66
STS P08842 7/20 0.61
HPGD P15428 2/20 0.59
RECQL P46063 1/20 0.59
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 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
SCHEMBL516632 0.90 ESR1 (0.68) LMNAESR1CYP1A2TSHRCYP2C19
SCHEMBL10344348 0.90 LMNA (0.72) LMNAESR1CYP1A2TSHRCYP2C19
Hydrogen Peroxide SCHEMBL28645617 0.89 ESR1 (0.82) LMNAESR1CYP1A2TSHRCYP2C19
SCHEMBL10599394 0.88 ESR1 (0.70) LMNAESR1CYP1A2TSHRCYP2C19
SCHEMBL37476 0.88 ESR1 (0.85) LMNAESR1CYP1A2TSHRCYP2C19
SCHEMBL11856660 0.87 MAPT (0.64) LMNAESR1CYP1A2TSHRCYP2C19
SCHEMBL19373810 0.87 MAPT (0.71) LMNAESR1CYP1A2TSHRCYP2C19
SCHEMBL17830941 0.86 ESR1 (0.77) LMNAESR1CYP1A2TSHRCYP2C19
Oxalic Acid SCHEMBL28508103 0.86 ESR1 (0.77) LMNAESR1CYP1A2TSHRCYP2C19
SCHEMBL22462710 0.86 MAPT (0.67) LMNAESR1CYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360220-A2 PROCESS FOR THE PRODUCTION OF POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-11-12 EP disclosed
WO-2002060855-A2 PROCESS FOR THE PRODUCTION OF POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2002-08-08 WO disclosed