SCHEMBL4397336

SCHEMBL4397336

O=C(O)C(C(=O)O)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
CYP2C9 P11712 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
GRM2 Q14416 3/20 0.44

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
SCHEMBL5552878 0.83 POLB (0.50) ATMLMNAMEN1KMT2AUSP2
SCHEMBL9091772 0.81 CYP2C9 (0.49) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL29591768 0.81 CYP2C9 (0.49) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL9016791 0.81 ATM (0.49) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL9242929 0.81 GRM2 (0.56) ATMCYP2C9MAOAMAOBHDAC3
Hydrochloric Acid SCHEMBL9240770 0.80 GRM2 (0.55) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL262699 0.80 CYP2C9 (0.47) ATMCYP2C9MAOAMAOBHDAC3
Hydrochloric Acid SCHEMBL9247358 0.80 GRM2 (0.55) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL5552936 0.80 POLB (0.41) ATMCYP2C9LMNAMEN1KMT2A
SCHEMBL28438106 0.79 L3MBTL1 (0.49) ATMMAOAMAOBHDAC3HDAC4

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
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed