SCHEMBL8027796

SCHEMBL8027796

O=S(=O)(CCCCS)OCCCCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.39
CA2 P00918 16/20 0.39
CA9 Q16790 15/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
CA12 O43570 5/20 0.37
CA7 P43166 5/20 0.37
CA14 Q9ULX7 5/20 0.37
CA3 P07451 4/20 0.37
CA4 P22748 4/20 0.37
CA6 P23280 4/20 0.37
CA5A P35218 4/20 0.37
CA5B Q9Y2D0 4/20 0.37
RECQL P46063 2/20 0.30
GLA P06280 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
SCHEMBL28495884 0.88 CA1 (0.35) CA1CA2CA9TSHRKDM4E
SCHEMBL20995951 0.83 PTGS1 (0.44) LMNABLM
SCHEMBL419120 0.79 PTGS1 (0.44) LMNABLM
SCHEMBL28606550 0.77 PTGS1 (0.48) LMNABLM
SCHEMBL3802854 0.76 CA2 (0.58) CA1CA2CA9TSHRKDM4E
SCHEMBL17183005 0.75 CA1 (0.46) CA1CA2CA9TSHRKDM4E
SCHEMBL17183011 0.75 CA1 (0.46) CA1CA2CA9TSHRKDM4E
SCHEMBL3655503 0.75 CA1 (0.46) CA1CA2CA9TSHRKDM4E
SCHEMBL9766232 0.74 CA2 (0.59) CA1CA2CA9TSHRKDM4E
SCHEMBL4270674 0.74 CA2 (0.59) CA1CA2CA9TSHRKDM4E

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-0986767-A1 OPTICAL LENS IN TRANSPARENT ORGANIC POLYMER MATERIAL WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2000-03-22 EP disclosed
WO-1999052000-A1 OPTICAL LENS IN TRANSPARENT ORGANIC POLYMER MATERIAL WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-10-14 WO disclosed