SCHEMBL7439799

SCHEMBL7439799

CCC(Cc1ccc(C(F)(F)F)cc1)c1cc(O)c(C(c2ccc(C)s2)C2CC2)c(=O)o1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.31
MMP2 P08253 3/20 0.31
MMP3 P08254 3/20 0.31
MMP12 P39900 3/20 0.31
MMP13 P45452 3/20 0.31
MMP14 P50281 3/20 0.31
ADAMTS5 Q9UNA0 3/20 0.31
MMP9 P14780 2/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL7449923 0.92
SCHEMBL7438155 0.90 CCR5 (0.30)
SCHEMBL7448280 0.90 ALDH1A1 (0.31)
SCHEMBL7438299 0.90 ESR1 (0.35)
SCHEMBL7438677 0.89 ALDH1A1 (0.31)
SCHEMBL7449766 0.89 ALDH1A1 (0.33)
SCHEMBL7444161 0.88 HSD17B2 (0.32)
SCHEMBL7430123 0.87 NQO1 (0.33) ADAMTS4MMP2MMP3MMP12MMP13
SCHEMBL7444893 0.87 MAPT (0.37)
SCHEMBL7441557 0.87 PPARG (0.33) PPARG

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
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
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