SCHEMBL9199528

SCHEMBL9199528

CCC(Cc1cc(O)c(C(c2ccccc2)C2CC2)c(=O)o1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
NR3C1 P04150 2/20 0.35
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
KMT2A Q03164 1/20 0.34
GBA1 P04062 1/20 0.34
CYP2C9 P11712 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMTK3 Q96Q04 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL9287557 0.92 HTR6 (0.35) POLBALDH1A1
SCHEMBL7445975 0.85 POLB (0.38) POLBSMN1; SMN2KMT2AGBA1CYP2C9
SCHEMBL6176220 0.81 VKORC1 (0.37) KMT2ACYP2C9ALDH1A1LMNAHTT
SCHEMBL27333913 0.81 VKORC1 (0.36) KMT2ACYP2C9ALDH1A1CYP3A4LMNA
SCHEMBL7442256 0.80 POLB (0.40) POLBGBA1CYP2C9ALDH1A1LMNA
SCHEMBL6174524 0.78 CYP2C9 (0.36) CYP2C9
SCHEMBL6177695 0.78 CYP2C9 (0.38) KMT2ACYP2C9ALDH1A1HSD17B10
SCHEMBL7445970 0.78 ALDH1A1 (0.37) POLBSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL7445966 0.77 TACR1 (0.34) POLBKMT2ACYP2C9ALDH1A1
SCHEMBL7441063 0.77 KCNK3 (0.36) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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