SCHEMBL28898679

SCHEMBL28898679

CONC(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ATM Q13315 1/20 0.55
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
MEN1 O00255 2/20 0.53
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
P2RX7 Q99572 1/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL17054175 0.84 KMT2A (0.54) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL17054176 0.83 ALDH1A1 (0.67) KMT2AATMMEN1ALDH1A1SMN1; SMN2
SCHEMBL17054265 0.83 HPGD (0.51) P2RX7ALDH1A1POLBFFAR1
SCHEMBL28898656 0.83 TSHR (0.50) KMT2AHDAC1HDAC6MEN1HDAC2
SCHEMBL13527480 0.82 HDAC2 (0.61) HDAC1HDAC6HDAC2HDAC8ALDH1A1
SCHEMBL17054173 0.81 LOXL2 (0.59) KMT2AMEN1ALDH1A1
SCHEMBL197699 0.80 CYP11B1 (0.58) KMT2AATMHDAC1HDAC6MEN1
SCHEMBL6241724 0.80 CYP1A2 (0.57) KMT2AATMHDAC1HDAC6MEN1
SCHEMBL17967143 0.80 HDAC1 (0.57) KMT2AATMHDAC1HDAC6MEN1
SCHEMBL17054172 0.79 CYP2C9 (0.53) KMT2AHDAC1HDAC6MEN1HDAC3

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-115385877-B Dihydrofuran-2-one compound and preparation method thereof 嘉兴学院 2024-02-23 CN disclosed
CN-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN disclosed