SCHEMBL22190384

SCHEMBL22190384

O=C(CCCCCc1ccccc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 1.00
HDAC2 Q92769 9/20 1.00
ALOX5 P09917 1/20 1.00
HDAC8 Q9BY41 7/20 0.86
HDAC6 Q9UBN7 6/20 0.86
HDAC3 O15379 5/20 0.86
HDAC5 Q9UQL6 2/20 0.86
HDAC10 Q969S8 3/20 0.76
HDAC11 Q96DB2 3/20 0.76
NCOR2 Q9Y618 3/20 0.76
HDAC4 P56524 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC7 Q8WUI4 1/20 0.67
MAPT P10636 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67

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
SCHEMBL5807174 1.00 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL8610138 1.00 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL3844327 1.00 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL5020559 0.98 HDAC1 (0.96) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL5020670 0.93 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
Phenylbutyrylhydroxamic Acid SCHEMBL1350853 0.92 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
Phenylbutyrylhydroxamic Acid SCHEMBL27961036 0.91 HDAC1 (0.96) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL1232766 0.91 HDAC1 (0.83) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL12889789 0.90 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL5020668 0.89 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6

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
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed