SCHEMBL28413541

SCHEMBL28413541

O=C1CCCCC1C(O)C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
MCL1 Q07820 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL28413540 1.00 CA1 (0.47) CA1MCL1MAPTKDM4EHPGD
SCHEMBL28405192 0.95 MAPT (0.47) CA1MCL1MAPTKDM4EHPGD
SCHEMBL28405194 0.95 MAPT (0.47) CA1MCL1MAPTKDM4EHPGD
SCHEMBL27995145 0.76 HSP90AA1 (0.44) KDM4ESMN1; SMN2POLBRAB9A
SCHEMBL4754009 0.74 MAPT (0.61) CA1MCL1MAPTKDM4EHPGD
SCHEMBL7053572 0.74 MAPT (0.61) CA1MCL1MAPTKDM4EHPGD
SCHEMBL3487513 0.74 MAPT (0.61) CA1MCL1MAPTKDM4EHPGD
SCHEMBL14292320 0.74 MAPT (0.61) CA1MCL1MAPTKDM4EHPGD
SCHEMBL7055028 0.74 MAPT (0.61) CA1MCL1MAPTKDM4EHPGD
SCHEMBL4754008 0.74 MAPT (0.61) CA1MCL1MAPTKDM4EHPGD

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-111235187-B Method for preparing beta-hydroxyketone by reacting enzyme-catalyzed cyclic ketone with aromatic aldehyde 岭南师范学院 2022-12-06 CN disclosed
CN-111235187-A Method for preparing β -hydroxyketone by reacting cyclic ketone with aromatic aldehyde under enzyme catalysis 岭南师范学院 2020-06-05 CN disclosed