SCHEMBL8993220

SCHEMBL8993220

O=C(O)CCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.58
KMT2A Q03164 1/20 0.55
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
SLC6A3 Q01959 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 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
SCHEMBL28062991 0.94 KMT2A (0.57) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL3136529 0.90 EGFR (0.54) EGFRKMT2AHDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL8993456 0.89 EGFR (0.53) EGFRKMT2AHDAC3HDAC4HDAC7
Glutarate SCHEMBL3623154 0.85 KMT2A (0.52) EGFRKMT2AHDAC3HDAC4HDAC1
Aminobenzoic Acid SCHEMBL8993340 0.85 EGFR (0.46) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL18231340 0.83 POLB (0.46) EGFRKMT2AHDAC3HDAC4HDAC7
SCHEMBL27407085 0.81 EDNRB (0.51) EGFRKMT2ACYP1A2TSHRTOP1
SCHEMBL21896085 0.81 KMT2A (0.43) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL7574105 0.79 HTR2A (0.61) KMT2ASLC6A3ADRA1ASMN1; SMN2HTR2A
SCHEMBL17022715 0.79 HTR2A (0.61) KMT2ASLC6A3ADRA1ASMN1; SMN2HTR2A

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-110087460-B Bacillus thuringiensis RTI545 compositions and methods of use for benefiting plant growth and controlling plant pests FMC 公司 2022-06-28 CN disclosed
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed