SCHEMBL6174052

SCHEMBL6174052

CCC(Cc1ccccc1)c1cc(O)c(C(c2ccc(CNS(=O)(=O)c3ccccc3)s2)C2CC2)c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
NPY5R Q15761 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
GBA1 P04062 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL6175197 0.87 MTNR1A (0.34) RXFP1SMN1; SMN2LMNAALDH1A1
SCHEMBL6175446 0.86 LMNA (0.33) LMNA
SCHEMBL6175682 0.86 C3AR1 (0.32) LMNA
SCHEMBL7442392 0.85 WRN (0.33) LMNA
SCHEMBL6174244 0.85 C3AR1 (0.32) LMNA
SCHEMBL6173442 0.84 L3MBTL1 (0.30) LMNA
SCHEMBL7444161 0.84 HSD17B2 (0.32) KMT2ASMN1; SMN2LMNAALDH1A1HSD17B2
SCHEMBL7431567 0.82 LMNA (0.31) LMNA
SCHEMBL7565427 0.81 ITGA4 (0.30)
SCHEMBL6173713 0.80 PTGES (0.38) ALDH1A1

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 7 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-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
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