SCHEMBL28833591

SCHEMBL28833591

O=C(O)CCCCC(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TBXAS1 P24557 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL27702248 0.98 CRHBP (0.48) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL27716236 0.98 HDAC3 (0.49) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL27333858 0.98 HDAC3 (0.49) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL27413653 0.93 CRHBP (0.51) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL7521589 0.88 CRHBP (0.48) CRHBPCRHR2MAPTESR1ESR2
SCHEMBL32684616 0.87 CRHBP (0.56) CRHBPCRHR2ESR1ESR2MAPK1
SCHEMBL9261002 0.86 MGLL (0.47) CRHBPCRHR2MAPTESR1ESR2
SCHEMBL21861457 0.86 CRHBP (0.47) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL6037684 0.86 CRHBP (0.47) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL11043165 0.86 CRHBP (0.47) CRHBPCRHR2ESR1ESR2MGLL

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-105925246-A Electricity generated acid produced by blending substances with changeable oxidation state and electrolyte and applications thereof 吉林大学 2016-09-07 CN claimed
CN-105925246-A Electricity generated acid produced by blending substances with changeable oxidation state and electrolyte and applications thereof 吉林大学 2016-09-07 CN disclosed