SCHEMBL7473129

SCHEMBL7473129

CCC(Cc1ccc(OC)cc1)c1cc(O)c(C(CC)c2cccs2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
NQO1 P15559 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 2/20 0.35
LDHA P00338 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
VKORC1 Q9BQB6 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
SCHEMBL7443735 0.90 TP53 (0.35) MAPTMCL1L3MBTL1ALDH1A1NPSR1
SCHEMBL7437926 0.90 ESR1 (0.39) MAPTALDH1A1HPGDNQO1POLB
SCHEMBL7441300 0.90 NQO1 (0.41) MAPTL3MBTL1ALDH1A1HPGDNQO1
SCHEMBL7447834 0.89 NQO1 (0.37) MAPTALDH1A1HPGDNQO1MEN1
SCHEMBL7443023 0.89 NQO1 (0.37) MAPTL3MBTL1ALDH1A1HPGDNQO1
SCHEMBL7435508 0.88 NQO1 (0.36) ALDH1A1HPGDNQO1MEN1KMT2A
SCHEMBL7439255 0.88 MAPT (0.37) MAPTALDH1A1HPGDNQO1MEN1
SCHEMBL7435905 0.86 NQO1 (0.35) NQO1VKORC1HTR2B
SCHEMBL7439820 0.86 L3MBTL1 (0.37) MAPTMCL1L3MBTL1ALDH1A1NPSR1
SCHEMBL7440515 0.85 NQO1 (0.40) MAPTNPSR1NQO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO claimed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed