SCHEMBL7442256

SCHEMBL7442256

CCC(CNS(=O)(=O)c1ccccc1)c1cc(O)c(C(c2ccccc2)C2CC2)c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TBXAS1 P24557 2/20 0.39
GBA1 P04062 2/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 4/20 0.38
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL7443310 0.92 POLB (0.36) POLBGBA1TP53MAPTALDH1A1
SCHEMBL7442097 0.88 ATM (0.37) GBA1TP53MAPTALDH1A1LMNA
SCHEMBL6174613 0.87 CYP2C9 (0.44) CYP2C9ALDH1A1
SCHEMBL7444008 0.86 MAPT (0.37) TP53MAPTALDH1A1
SCHEMBL7444945 0.86 TBXAS1 (0.42) TBXAS1ALDH1A1
SCHEMBL7450465 0.86 ATIC (0.38)
SCHEMBL7445975 0.85 POLB (0.38) POLBGBA1CYP2C9ALDH1A1LMNA
Pyridine SCHEMBL7444959 0.85 TBXAS1 (0.36) POLBTBXAS1TP53ALDH1A1
SCHEMBL7444223 0.85 ALDH1A1 (0.37) POLBMAPTALDH1A1LMNA
SCHEMBL7444228 0.85 ALDH1A1 (0.37) POLBMAPTALDH1A1LMNA

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 4 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