SCHEMBL4299717

SCHEMBL4299717

CC1CC1.O=C1CCCCCO1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.70
CA9 Q16790 2/20 0.70
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
FKBP4 Q02790 3/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CYP2C19 P33261 2/20 0.32
CASP1 P29466 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL24090327 0.92 CA1 (0.64) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL7948552 0.92 CA1 (0.64) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL7948565 0.92 CA1 (0.64) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL24983914 0.92 CA1 (0.64) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL7940922 0.92 CA1 (0.64) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL12650060 0.88 CA1 (0.64) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL6288619 0.88 CA1 (0.58) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL6286442 0.88 CA1 (0.58) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL8652102 0.87 CA1 (0.56) CA1CA9CYP2D6ALDH1A1LMNA
SCHEMBL3956872 0.87 CA1 (0.57) CA1CA9CYP2D6ALDH1A1LMNA

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
US-20090061117-A1 Sealant for one drop fill process, vertically conducting material and liquid crystal display device SEKISUI CHEMICAL CO., LTD. (JP) 2009-03-05 US disclosed