SCHEMBL28433698

SCHEMBL28433698

CC(C)CC(=O)OC(=O)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
AKR1B10 O60218 3/20 0.48
AKR1B1 P15121 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46

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
SCHEMBL363487 1.00 LMNA (0.50) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL30472929 0.84 LMNA (0.63) LMNATDP1KMT2AMAPTHDAC3
SCHEMBL28197285 0.84 ALDH1A1 (0.47) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL27732203 0.83 LMNA (0.56) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL27732204 0.83 LMNA (0.56) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL15569161 0.82 LMNA (0.51) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL11317021 0.82 LMNA (0.57) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL9116949 0.82 LMNA (0.57) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL29010570 0.79 LMNA (0.51) LMNAALDH1A1AKR1B10AKR1B1TDP1
SCHEMBL28160312 0.79 GLA (0.53) LMNAALDH1A1AKR1B10AKR1B1TDP1

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-111363415-A Slow-odor type high-strength nano composite colored lead core and preparation method thereof 烟台好前程文具有限公司 2020-07-03 CN claimed
CN-111363415-A Slow-odor type high-strength nano composite colored lead core and preparation method thereof 烟台好前程文具有限公司 2020-07-03 CN disclosed