SCHEMBL8445404

SCHEMBL8445404

Cc1ccc([C](c2ccc(C)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 4/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 7/20 0.44
KMT2A Q03164 7/20 0.44
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 5/20 0.39
KDM4A O75164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 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
SCHEMBL40667 0.82 KMT2A (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL18204466 0.74 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL23009481 0.72 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL308494 0.71 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29537012 0.71 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Pyrene SCHEMBL28204227 0.71 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL6302198 0.70 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2291863 0.69 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Methyl Alcohol SCHEMBL28488780 0.69 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL27248401 0.69 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942916-A2 NUCLEOSIDES Medivir Aktiebolag (SE) 1999-09-22 EP disclosed
EP-0888348-A1 ACYCLIC NUCLEOSIDE DERIVATIVES Medivir Aktiebolag (SE) 1999-01-07 EP disclosed
EP-0880521-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDES Medivir Aktiebolag (SE) 1998-12-02 EP disclosed
WO-1998021223-A1 NUCLEOSIDES MEDIVIR AB (SE) 1998-05-22 WO disclosed
WO-1997030052-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 1997-08-21 WO disclosed
WO-1997030051-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1997-08-21 WO disclosed