SCHEMBL28287294

SCHEMBL28287294

CC(=O)C([C]=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL15972146 0.78 POLB (0.38) POLBCYP1A2TSHRALDH1A1HDAC3
SCHEMBL2121840 0.75 CYP1A2 (0.42) POLBCYP1A2TSHRMAPTAPAF1
SCHEMBL8320763 0.74 KMT2A (0.47) CYP1A2TSHRKMT2A
SCHEMBL3136524 0.68 CYP1A2 (0.56) POLBCYP1A2TSHRMAPTHDAC3
SCHEMBL12237327 0.68 POLB (0.53) POLBCYP1A2TSHRMAPTAPAF1
SCHEMBL18742337 0.67 POLB (0.42) POLBCYP1A2TSHRMAPTAPAF1
SCHEMBL28536843 0.67 POLB (0.42) POLBCYP1A2TSHRMAPTAPAF1
SCHEMBL19690397 0.67 CYP1A2 (0.59) POLBCYP1A2TSHRMAPTALDH1A1
SCHEMBL21225274 0.67 POLB (0.42) POLBCYP1A2TSHRMAPTAPAF1
SCHEMBL25583841 0.67 POLB (0.51) POLBCYP1A2TSHRMAPTAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106242938-B Fluorene ethylene derivative and synthetic method thereof 沈阳大学 2019-04-23 CN disclosed