SCHEMBL6913508

SCHEMBL6913508

O=C(O)C1=CCCCC1.[AlH3]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.57
HDAC4 P56524 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CTSK P43235 1/20 0.46
TSHR P16473 3/20 0.43
SLC6A1 P30531 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 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
SCHEMBL6918580 0.98 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL570578 0.98
SCHEMBL20184157 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL6912982 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL6914652 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL1628262 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL11169395 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL518453 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL8599803 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL6915122 0.95 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed