SCHEMBL9511074

SCHEMBL9511074

O=S(=O)(Cc1ccccc1)N(CCO)CCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
CNR2 P34972 2/20 0.47
RORC P51449 7/20 0.47
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
MMP1 P03956 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
FAAH O00519 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
MMP7 P09237 1/20 0.43
MMP12 P39900 1/20 0.43

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
SCHEMBL10597184 0.84 HSP90AA1 (0.58) HSP90AA1CNR2RORCCA2CA1
SCHEMBL6061940 0.81 CNR2 (0.62) HSP90AA1CNR2RORCCA2CA1
SCHEMBL7200359 0.81 HSP90AA1 (0.51) HSP90AA1CNR2RORCCA2CA1
SCHEMBL6388222 0.81 HSP90AA1 (0.50) HSP90AA1CNR2RORCCA2CA1
SCHEMBL9307806 0.79 CNR2 (0.71) HSP90AA1CNR2RORC
SCHEMBL5628412 0.79 CA2 (0.49) CNR2RORCCA2SMN1; SMN2
SCHEMBL3192672 0.78 CNR2 (0.65) HSP90AA1CNR2RORCCA2CA1
SCHEMBL3821935 0.77 RORC (0.56) HSP90AA1CNR2RORCCA2CA1
SCHEMBL31424533 0.76 HPGD (0.48) HSP90AA1CNR2RORCCA9HPGD
SCHEMBL3174757 0.75 HSP90AA1 (0.57) HSP90AA1CNR2CA2CA1MMP1

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-0304886-B1 Oligomer benzil ketals and their use as photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP disclosed
US-5095044-A Odorless, discoloration inhibition CIBA-GEIGY CORPORATION (US) 1992-03-10 US disclosed
US-4950795-A PRINTING PLATES, PAPER COATING CIBA-GEIGY CORPORATION (US) 1990-08-21 US disclosed
EP-0304886-A2 Oligomer benzil ketals and their use as photoinitiators CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed