SCHEMBL8775669

SCHEMBL8775669

OC(S)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
TSHR P16473 2/20 0.56
TACR1 P25103 2/20 0.50
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.47
SLC1A1 P43005 1/20 0.47
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL1096291 0.83 CA1 (0.61) CA1CA2CA7CA9TSHR
SCHEMBL1530998 0.83 CA1 (0.61) CA1CA2CA7CA9TSHR
SCHEMBL1759919 0.83 CA1 (0.61) CA1CA2CA7CA9TSHR
SCHEMBL873616 0.83 CA1 (0.61) CA1CA2CA7CA9TSHR
SCHEMBL2181772 0.83 CA1 (0.61) CA1CA2CA7CA9TSHR
SCHEMBL93709 0.83 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL4951286 0.83 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL4382418 0.83 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL397022 0.83 CA1 (0.78) CA1CA2CA7CA9TSHR
SCHEMBL93708 0.83 CA1 (0.66) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513358-B1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN TOPPAN PRINTING CO LTD (JP) 1997-10-01 EP disclosed
US-5608015-A Processes for producing cyclodextrin derivatives and polymers containing immobilized cyclodextrin therein TOPPAN PRINTING CO., LTD. (JP) 1997-03-04 US disclosed
EP-0513358-A1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN Toppan Printing Co., Ltd. (JP) 1992-11-19 EP disclosed