SCHEMBL7219186

SCHEMBL7219186

CCC(CC)C(=O)OCCCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
CA1 P00915 3/20 0.41
RARB P10826 1/20 0.38
MAPK1 P28482 1/20 0.36
NAAA Q02083 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CPB2 Q96IY4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL14839843 0.98 CA2 (0.40) CA2CA1RARBMAPK1NAAA
SCHEMBL29832739 0.98 CA2 (0.40) CA2CA1RARBMAPK1NAAA
SCHEMBL7224184 0.98 CA2 (0.40) CA2CA1RARBMAPK1NAAA
SCHEMBL7224597 0.98 CA2 (0.40) CA2CA1RARBMAPK1NAAA
SCHEMBL7217664 0.98 CA2 (0.40) CA2CA1RARBMAPK1NAAA
SCHEMBL7222720 0.91 CA2 (0.46) CA2CA1RARBMAPK1NAAA
SCHEMBL7217337 0.89 CA2 (0.44) CA2CA1MAPK1NAAAHDAC3
SCHEMBL7217154 0.89 CA2 (0.44) CA2CA1MAPK1NAAAHDAC3
SCHEMBL7218188 0.89 CA2 (0.44) CA2CA1MAPK1NAAAHDAC3
SCHEMBL333193 0.89 CA2 (0.58) CA2CA1MAPK1NAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed