SCHEMBL27598697

SCHEMBL27598697

COc1ccc(-c2cnccc2C(=O)O)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A1 P04798 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP1B1 Q16678 3/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.42
KDM4C Q9H3R0 5/20 0.42
KDM6B O15054 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4A O75164 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30017867 0.82 KDM4C (0.46) MAPTTDP1KDM4CKDM6BKDM4E
SCHEMBL29573953 0.79 SLC22A12 (0.53) TDP1CYP1A2CYP3A4CYP2D6KDM4C
SCHEMBL22717569 0.79 SLC22A12 (0.53) TDP1CYP1A2CYP3A4CYP2D6KDM4C
SCHEMBL5151553 0.79 HDAC4 (0.59) MAPTTDP1HDAC4HDAC2HDAC8
SCHEMBL31006674 0.78 GPBAR1 (0.50) KDM4C
SCHEMBL115719 0.76 KDM4C (0.53) MAPTTDP1KDM4CKDM6BKDM4E
SCHEMBL30578227 0.76 KDM4C (0.53) MAPTTDP1KDM4CKDM6BKDM4E
SCHEMBL25153602 0.75 SLC22A12 (0.47) KDM4C
SCHEMBL31019038 0.75 SLC22A12 (0.47) KDM4C
SCHEMBL31006682 0.75 GPBAR1 (0.47) CYP1A2KDM4CKDM4EALDH1A1HPGD

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-100406441-C Cyclic amine compounds KOWA CO (JP) 2008-07-30 CN disclosed
CN-1604893-A Cyclic amine compound KOWA CO (JP) 2005-04-06 CN disclosed