SCHEMBL9052689

SCHEMBL9052689

CC(=O)Cc1cc(OCc2ccccc2)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA9 Q16790 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAOB P27338 5/20 0.36
PRKCA P17252 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SRD5A2 P31213 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL24622192 0.83 MAPT (0.37) BRD4SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL9057677 0.82 MEN1 (0.48) SMN1; SMN2NPC1HPGDRAB9ASRD5A2
SCHEMBL30257717 0.81 HPGD (0.51) BRD4SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL23957505 0.81 HPGD (0.51) BRD4SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL24622099 0.81 MAPT (0.42) BRD4SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL23957504 0.77 MEN1 (0.42) HPGDSRD5A2MEN1KMT2A
SCHEMBL21584456 0.77 MEN1 (0.42) HPGDSRD5A2MEN1KMT2A
SCHEMBL30257817 0.77 MEN1 (0.42) HPGDSRD5A2MEN1KMT2A
SCHEMBL30257818 0.77 MEN1 (0.42) HPGDSRD5A2MEN1KMT2A
SCHEMBL23630711 0.76 HIF1A (0.44) SMN1; SMN2MAPTMAOBLMNANPC1

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
WO-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed