SCHEMBL7439255

SCHEMBL7439255

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NQO1 P15559 1/20 0.36
MME P08473 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 4/20 0.33
POLB P06746 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7437926 0.92 ESR1 (0.39) MAPTALDH1A1NQO1CYP2C9POLB
SCHEMBL7441300 0.92 NQO1 (0.41) MAPTALDH1A1NQO1KMT2ACYP2C9
SCHEMBL7447834 0.91 NQO1 (0.37) MAPTALDH1A1NQO1KMT2AMEN1
SCHEMBL7443023 0.91 NQO1 (0.37) MAPTALDH1A1NQO1KMT2AMEN1
SCHEMBL7435508 0.90 NQO1 (0.36) ALDH1A1NQO1MMEKMT2AMEN1
SCHEMBL7443597 0.90 MAPT (0.34) MAPTALDH1A1NQO1MMEKMT2A
SCHEMBL7435905 0.88 NQO1 (0.35) NQO1PPARGPPARACYP2C9
SCHEMBL7473129 0.88 MAPT (0.38) MAPTALDH1A1NQO1KMT2AMEN1
SCHEMBL7440515 0.86 NQO1 (0.40) MAPTNQO1KMT2AMEN1CYP2C9
SCHEMBL7444897 0.86 NQO1 (0.36) MAPTALDH1A1NQO1CYP2C9POLB

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-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
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 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
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
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 disclosed