SCHEMBL28062991

SCHEMBL28062991

O=C(O)CCCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
EGFR P00533 3/20 0.53
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SLC6A3 Q01959 2/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL8993220 0.94 EGFR (0.58) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL3136529 0.89 EGFR (0.54) KMT2AEGFRHDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL8993456 0.87 EGFR (0.53) KMT2AEGFRHDAC3HDAC4HDAC7
Glutarate SCHEMBL3623154 0.84 KMT2A (0.52) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL17022715 0.82 HTR2A (0.61) KMT2ASLC6A3ADRA1ASMN1; SMN2HTR2C
Aminobenzoic Acid SCHEMBL8993340 0.80 EGFR (0.46) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL21896086 0.80 KMT2A (0.47) KMT2AEGFRHDAC3HDAC4HDAC1
Bicarbonate SCHEMBL7694925 0.80 HTR2A (0.47) HTR2A
SCHEMBL27407085 0.80 EDNRB (0.51) KMT2AEGFRRXFP1CYP1A2TSHR
SCHEMBL2401694 0.79 KMT2A (0.70) KMT2AEGFRHDAC3HDAC4HDAC1

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-105622804-A Solid catalyst component used for olefin polymerization and catalyst used for olefin polymerization and application CHINA PETROLEUM & CHEM CORP 2016-06-01 CN disclosed
CN-105541623-A Fluorenyl group and carboxylate combination compound and application thereof CHINA PETROLEUM & CHEM CORP 2016-05-04 CN disclosed