SCHEMBL5138097

SCHEMBL5138097

COCCOCCOCCOC(=O)C1=C(c2ccc(C)cc2)c2ccccc2C1(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.40
LMNA P02545 3/20 0.39
TDP2 O95551 4/20 0.36
HPGD P15428 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
ATM Q13315 1/20 0.34
APAF1 O14727 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
PPP1CA P62136 1/20 0.34

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
SCHEMBL5179888 0.87 MAPT (0.46) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5138337 0.75 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5139020 0.75 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5138659 0.74 TSHR (0.43) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5138334 0.74 TSHR (0.43) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL16130571 0.68 CYP3A4 (0.59) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL15430835 0.68 CYP3A4 (0.59) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL14926636 0.66 TDP1 (0.53) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL14926665 0.66 TDP1 (0.53) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5599951 0.65 TSHR (0.89) ALDH1A1SMN1; SMN2TSHRLMNAHPGD

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
WO-2008037604-A1 NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2008-04-03 WO claimed
WO-2008037604-A1 NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2008-04-03 WO disclosed