SCHEMBL28876346

SCHEMBL28876346

O=C(OC(=O)C1(c2ccccc2)OO1)C1(c2ccccc2)OO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.37
AKR1C1 Q04828 1/20 0.36
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
OPRM1 P35372 3/20 0.33
HDAC4 P56524 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYP1A2 P05177 1/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL10353787 0.79 AKR1C1 (0.45) F2LMNAKMT2AHTTAKR1C1
SCHEMBL8649514 0.79 BCHE (0.38) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL5496475 0.74 LMNA (0.43) F2LMNAKMT2AMEN1AKR1C1
SCHEMBL10353506 0.73 RIPK1 (0.33) KMT2AMEN1HTTAPOBEC3AAPOBEC3G
SCHEMBL24780372 0.67 TSHR (0.59) LMNAKMT2AMEN1AKR1C1APOBEC3A
Bicarbonate SCHEMBL9350627 0.67 AKR1C1 (0.41) F2LMNAKMT2AHTTAKR1C1
SCHEMBL329509 0.67 AKR1C1 (0.68) LMNAKMT2AMEN1HTTAKR1C1
SCHEMBL1814508 0.66 MEN1 (0.42) LMNAKMT2AMEN1HTTAKR1C1
SCHEMBL230776 0.65 AKR1C1 (0.45) LMNAKMT2AMEN1HTTAKR1C1
SCHEMBL20592967 0.65 AKR1C1 (0.45) LMNAHTTAKR1C1OPRM1HDAC4

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
CN-110198983-A The method for manufacturing polyacrylonitrile fibre 纳幕尔杜邦公司 2019-09-03 CN disclosed
CN-110198957-A The functionalization and its composition in situ of polysaccharide 纳幕尔杜邦公司 2019-09-03 CN disclosed