SCHEMBL6174992

SCHEMBL6174992

CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc4ncccc4c3)c2)C2CC2)c(=O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
F10 P00742 2/20 0.38
PFKFB3 Q16875 1/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR7 P34969 2/20 0.35
NAMPT P43490 3/20 0.34
NPY1R P25929 1/20 0.34
ADRB3 P13945 1/20 0.33
ALOX12 P18054 1/20 0.33
MMP1 P03956 1/20 0.32
ADAM17 P78536 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR6 P50406 1/20 0.32
RAB9A P51151 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
SCHEMBL6173713 0.88 PTGES (0.38) ALDH1A1NAMPTADRB3ALOX12ADRB2
SCHEMBL6174502 0.88 PDE4B (0.42) SMN1; SMN2LMNAALDH1A1HTTNPSR1
SCHEMBL7403401 0.87 MLNR (0.33) NAMPTADRB3
SCHEMBL7440280 0.87 NAMPT (0.40) NAMPTADRB3ADRB2ADRB1KMT2A
SCHEMBL7395313 0.87 MLNR (0.37) LMNANAMPTADRB3GAATSHR
SCHEMBL6174303 0.86 ITGA1 (0.40) SMN1; SMN2HSD17B2ALOX12MMP1KMT2A
SCHEMBL7482607 0.86 ALDH1A1 (0.40) LMNAALDH1A1HTTKMT2AGAA
SCHEMBL7439445 0.86 LIMK2 (0.36) ALDH1A1NAMPTHTR6
SCHEMBL7440371 0.86 HDAC1 (0.37) SMN1; SMN2ALDH1A1HTTNAMPTALOX12
SCHEMBL7447436 0.86 LIMK2 (0.37) HSD17B2ALOX12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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