SCHEMBL4435889

SCHEMBL4435889

O=S(=O)(O)CCCCOCc1ccccc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 2/20 0.42
TEAD3 Q99594 1/20 0.41
LTA4H P09960 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA7 P43166 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39

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
SCHEMBL6598977 0.98 MGLL (0.49) MGLLTSHRL3MBTL1TDP1EPHX2
Hydrochloric Acid SCHEMBL28277924 0.95 MGLL (0.47) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL27032524 0.95 MGLL (0.47) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL27032553 0.93 TSHR (0.45) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL7195587 0.93 TSHR (0.48) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL12077051 0.90 TSHR (0.45) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL27032244 0.90 TSHR (0.45) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL1623314 0.86 TSHR (0.52) MGLLTSHRL3MBTL1TDP1TEAD3
SCHEMBL4434541 0.85 LMNA (0.46) CA1CA2CA9SMN1; SMN2HRH3
SCHEMBL4438966 0.85 CA1 (0.45) MGLLLTA4HCA1CA2CA9

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-2122020-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba Holding Inc. (CH) 2009-11-25 EP disclosed
WO-2008090060-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA HOLDING INC. (CH) 2008-07-31 WO disclosed
US-20080176475-A1 Wettable polyester fibers and fabrics CIBA CORP. 2008-07-24 US disclosed