SCHEMBL4434541

SCHEMBL4434541

O=S(=O)(O)CCCCOCCCc1ccccc1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
IDO1 P14902 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
FFAR1 O14842 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL14114294 0.98 LMNA (0.47) LMNAMEN1KMT2AIDO1HRH3
SCHEMBL4444793 0.97 FFAR1 (0.44) LMNAMEN1KMT2AFFAR1
SCHEMBL14114297 0.95 FFAR1 (0.45) LMNAMEN1KMT2AFFAR1
SCHEMBL4438966 0.94 CA1 (0.45) LMNAMEN1KMT2ACA2CA1
SCHEMBL14114296 0.92 CA1 (0.46) LMNAMEN1KMT2ACA2CA1
SCHEMBL9813929 0.87 CA1 (0.47) LMNAMEN1KMT2ACA2CA1
SCHEMBL4435889 0.85 MGLL (0.48) HRH3SMN1; SMN2CA2CA1CA9
SCHEMBL293286 0.84 MEN1 (0.53) LMNAMEN1KMT2ASMN1; SMN2CA2
SCHEMBL27032524 0.84 MGLL (0.47) LMNAHRH3SMN1; SMN2CA2CA1
SCHEMBL6598977 0.83 MGLL (0.49) HRH3SMN1; SMN2CA2CA1CA9

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