SCHEMBL9564904

SCHEMBL9564904

O=C(CS)OCCCCCCCCS

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
FAAH O00519 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL11363139 1.00 NAAA (0.45) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL9564820 1.00 NAAA (0.45) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3518739 1.00 NAAA (0.45) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL28799878 1.00 NAAA (0.45) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3520306 0.98 NAAA (0.41) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL11585668 0.93 NAAA (0.50) NAAATSHRHSD17B10RAD52NPSR1
SCHEMBL11235417 0.93 NAAA (0.50) NAAATSHRHSD17B10RAD52NPSR1
SCHEMBL97045 0.93 NAAA (0.50) NAAATSHRHSD17B10RAD52NPSR1
SCHEMBL98427 0.93 NAAA (0.50) NAAATSHRHSD17B10RAD52NPSR1
SCHEMBL96893 0.93 NAAA (0.50) NAAATSHRHSD17B10RAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565891-A1 Copolymer latex, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed