SCHEMBL27475441

SCHEMBL27475441

O=CCCCC(=O)ONCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
EPHX2 P34913 6/20 0.43
GAA P10253 1/20 0.42
TOP1 P11387 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
PPID Q08752 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
SCHEMBL28239404 0.87 GAA (0.55) STING1EPHX2GAAMEN1KMT2A
SCHEMBL15656106 0.87 MEN1 (0.53) STING1EPHX2GAAMEN1KMT2A
SCHEMBL8843852 0.87 STING1 (0.43) STING1EPHX2GAATOP1MEN1
SCHEMBL21611670 0.84 STING1 (0.54) STING1EPHX2GAAMEN1KMT2A
SCHEMBL8905338 0.81 EPHX2 (0.56) STING1EPHX2MEN1KMT2AFAAH
SCHEMBL28279506 0.79 EPHX2 (0.68) EPHX2FAAHCNR1CNR2
SCHEMBL26699105 0.79 STING1 (0.48) STING1EPHX2GAAMEN1KMT2A
SCHEMBL3959551 0.79 TDP1 (0.59) STING1EPHX2KMT2AHDAC1HDAC2
SCHEMBL8842303 0.79 MEN1 (0.49) STING1EPHX2GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL8843485 0.78 MEN1 (0.47) STING1EPHX2GAAMEN1KMT2A

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-1147491-C Acridine carboxylic ester compound, preparation and medicinal composition thereof ɪά��ʵ���� 2004-04-28 CN disclosed