SCHEMBL8898855

SCHEMBL8898855

O=C1CCCC(C2CCCCCC2)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 5/20 0.32
HPGD P15428 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
TEK Q02763 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 2/20 0.30

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
SCHEMBL10727489 0.89 MAPT (0.36) KDM4EGAAALDH1A1TRIM24TRIM33
SCHEMBL26828335 0.87 MAPT (0.37) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL8898871 0.84 TRIM24 (0.38) KDM4EGAAALDH1A1TRIM24TRIM33
SCHEMBL31276198 0.82 KMT2A (0.44) ALDH1A1KMT2AMAPTHPGDCA1
SCHEMBL3728524 0.82 KMT2A (0.44) ALDH1A1KMT2AMAPTHPGDCA1
SCHEMBL8902053 0.82 KMT2A (0.44) ALDH1A1KMT2AMAPTHPGDCA1
SCHEMBL11955 0.80 CA1 (0.42) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL120444 0.80 CA1 (0.42) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL22397285 0.80 CA1 (0.42) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL895510 0.80 CA1 (0.42) KDM4EALDH1A1KMT2AMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9221445-A None JP disclosed
JP-9221444-A None JP disclosed
JP-H09221445-A STEREOSELECTIVE PRODUCTION OF TRANS-SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE NIPPON SODA CO LTD 1997-08-26 JP disclosed
JP-H09221444-A STEREOSELECTIVE PRODUCTION OF CIS-SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE NIPPON SODA CO LTD 1997-08-26 JP disclosed